PubChemLite - 1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[2-(2-oxo-1-pyrrolidinyl)ethoxy]methyl]- (C23H25FN4O4)

Structural Information

Molecular Formula

SMILES

CN(C(=O)C1=NC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)COCCN4CCCC4=O)O

InChI

InChI=1S/C23H25FN4O4/c1-26(31)23(30)20-11-19-17(15-32-10-9-27-8-2-3-22(27)29)14-28(21(19)12-25-20)13-16-4-6-18(24)7-5-16/h4-7,11-12,14,31H,2-3,8-10,13,15H2,1H3

InChIKey

NVLGULRUGOBISS-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[2-(2-oxopyrrolidin-1-yl)ethoxymethyl]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]+	441.19325	202.9
[M+Na]+	463.17519	209.4
[M-H]-	439.17869	209.3
[M+NH4]+	458.21979	212.0
[M+K]+	479.14913	204.8
[M+H-H2O]+	423.18323	191.7
[M+HCOO]-	485.18417	220.4
[M+CH3COO]-	499.19982	232.0
[M+Na-2H]-	461.16064	199.7
[M]+	440.18542	206.2
[M]-	440.18652	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.19325

202.9

[M+Na]+

463.17519

209.4

[M-H]-

439.17869

209.3

[M+NH4]+

458.21979

212.0

[M+K]+

479.14913

204.8

[M+H-H2O]+

423.18323

191.7

[M+HCOO]-

485.18417

220.4

[M+CH3COO]-

499.19982

232.0

[M+Na-2H]-

461.16064

199.7

[M]+

440.18542

206.2

[M]-

440.18652

206.2

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

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[2-(2-oxo-1-pyrrolidinyl)ethoxy]methyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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