CID 16665853

A-966492

Structural Information

Molecular Formula
C18H17FN4O
SMILES
C1CC(NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
InChI
InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)
InChIKey
AHIVQGOUBLVTCB-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

156
Patents

324.13864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14592 173.1
[M+Na]+ 347.12786 181.2
[M-H]- 323.13136 176.8
[M+NH4]+ 342.17246 185.7
[M+K]+ 363.10180 173.4
[M+H-H2O]+ 307.13590 163.3
[M+HCOO]- 369.13684 189.3
[M+CH3COO]- 383.15249 182.5
[M+Na-2H]- 345.11331 172.1
[M]+ 324.13809 167.4
[M]- 324.13919 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe