PubChemLite - Schembl4804335 (C26H23F2N5O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CN(C4=CN=C(C=C43)C(=O)NO)CC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C26H23F2N5O2/c27-19-6-5-17(22(28)9-19)14-33-15-18(21-10-24(26(34)32-35)31-13-25(21)33)11-29-8-7-16-12-30-23-4-2-1-3-20(16)23/h1-6,9-10,12-13,15,29-30,35H,7-8,11,14H2,(H,32,34)

InChIKey

PVKDCCMHVJJNSW-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrrolo[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]+	476.18926	208.3
[M+Na]+	498.17120	217.3
[M-H]-	474.17470	213.1
[M+NH4]+	493.21580	216.0
[M+K]+	514.14514	208.0
[M+H-H2O]+	458.17924	196.5
[M+HCOO]-	520.18018	226.2
[M+CH3COO]-	534.19583	215.9
[M+Na-2H]-	496.15665	209.1
[M]+	475.18143	209.9
[M]-	475.18253	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.18926

208.3

[M+Na]+

498.17120

217.3

[M-H]-

474.17470

213.1

[M+NH4]+

493.21580

216.0

[M+K]+

514.14514

208.0

[M+H-H2O]+

458.17924

196.5

[M+HCOO]-

520.18018

226.2

[M+CH3COO]-

534.19583

215.9

[M+Na-2H]-

496.15665

209.1

[M]+

475.18143

209.9

[M]-

475.18253

209.9

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

Schembl4804335

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe