PubChemLite - Schembl4809327 (C24H22F2N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)CNCC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H22F2N4O2/c1-15-3-2-4-16(7-15)10-27-11-18-14-30(13-17-5-6-19(25)8-21(17)26)23-12-28-22(9-20(18)23)24(31)29-32/h2-9,12,14,27,32H,10-11,13H2,1H3,(H,29,31)

InChIKey

IKEPMETZPIFHOZ-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(3-methylphenyl)methylamino]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]+	437.17836	203.7
[M+Na]+	459.16030	212.3
[M-H]-	435.16380	209.0
[M+NH4]+	454.20490	212.1
[M+K]+	475.13424	204.2
[M+H-H2O]+	419.16834	191.2
[M+HCOO]-	481.16928	223.0
[M+CH3COO]-	495.18493	212.0
[M+Na-2H]-	457.14575	204.4
[M]+	436.17053	204.3
[M]-	436.17163	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.17836

203.7

[M+Na]+

459.16030

212.3

[M-H]-

435.16380

209.0

[M+NH4]+

454.20490

212.1

[M+K]+

475.13424

204.2

[M+H-H2O]+

419.16834

191.2

[M+HCOO]-

481.16928

223.0

[M+CH3COO]-

495.18493

212.0

[M+Na-2H]-

457.14575

204.4

[M]+

436.17053

204.3

[M]-

436.17163

204.3

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

Schembl4809327

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe