PubChemLite - 3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-1-[(2,4-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid (C24H20F4N4O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CNCC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F)OC(F)F

InChI

InChI=1S/C24H20F4N4O3/c25-17-4-3-15(20(26)7-17)12-32-13-16(19-8-21(23(33)31-34)30-11-22(19)32)10-29-9-14-1-5-18(6-2-14)35-24(27)28/h1-8,11,13,24,29,34H,9-10,12H2,(H,31,33)

InChIKey

VZBGOYLSQQTOFI-UHFFFAOYSA-N

Compound name

3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	489.15444	211.2
[M+Na]+	511.13638	219.2
[M-H]-	487.13988	213.8
[M+NH4]+	506.18098	217.1
[M+K]+	527.11032	211.6
[M+H-H2O]+	471.14442	196.8
[M+HCOO]-	533.14536	227.4
[M+CH3COO]-	547.16101	242.3
[M+Na-2H]-	509.12183	209.9
[M]+	488.14661	210.6
[M]-	488.14771	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.15444

211.2

[M+Na]+

511.13638

219.2

[M-H]-

487.13988

213.8

[M+NH4]+

506.18098

217.1

[M+K]+

527.11032

211.6

[M+H-H2O]+

471.14442

196.8

[M+HCOO]-

533.14536

227.4

[M+CH3COO]-

547.16101

242.3

[M+Na-2H]-

509.12183

209.9

[M]+

488.14661

210.6

[M]-

488.14771

210.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-1-[(2,4-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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