PubChemLite - Pf-03463275 (C19H22ClFN4O)

Structural Information

Molecular Formula

SMILES

CN1C[C@@H]2[C@H](C1)C2CN(CC3=CC(=C(C=C3)F)Cl)C(=O)C4=CN(C=N4)C

InChI

InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?

InChIKey

KYLOBHXXQOZRKK-YIONKMFJSA-N

Compound name

N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-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]+	377.15388	190.5
[M+Na]+	399.13582	200.7
[M-H]-	375.13932	197.6
[M+NH4]+	394.18042	199.7
[M+K]+	415.10976	193.0
[M+H-H2O]+	359.14386	180.8
[M+HCOO]-	421.14480	204.5
[M+CH3COO]-	435.16045	199.8
[M+Na-2H]-	397.12127	186.3
[M]+	376.14605	195.9
[M]-	376.14715	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.15388

190.5

[M+Na]+

399.13582

200.7

[M-H]-

375.13932

197.6

[M+NH4]+

394.18042

199.7

[M+K]+

415.10976

193.0

[M+H-H2O]+

359.14386

180.8

[M+HCOO]-

421.14480

204.5

[M+CH3COO]-

435.16045

199.8

[M+Na-2H]-

397.12127

186.3

[M]+

376.14605

195.9

[M]-

376.14715

195.9

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

Pf-03463275

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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