CID 510494

2-(2-amino-1-cyclopentyl-1h-benzimidazol-6-yl)-2-(2-fluorophenyl)-n-methylacetamide

Structural Information

Molecular Formula
C21H23FN4O
SMILES
CNC(=O)C(C1=CC2=C(C=C1)N=C(N2C3CCCC3)N)C4=CC=CC=C4F
InChI
InChI=1S/C21H23FN4O/c1-24-20(27)19(15-8-4-5-9-16(15)22)13-10-11-17-18(12-13)26(21(23)25-17)14-6-2-3-7-14/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H2,23,25)(H,24,27)
InChIKey
CJQHSCNJDTYLQC-UHFFFAOYSA-N
Compound name
2-(2-amino-3-cyclopentylbenzimidazol-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.18558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19286 185.7
[M+Na]+ 389.17480 192.0
[M-H]- 365.17830 192.8
[M+NH4]+ 384.21940 198.9
[M+K]+ 405.14874 186.1
[M+H-H2O]+ 349.18284 175.4
[M+HCOO]- 411.18378 205.2
[M+CH3COO]- 425.19943 195.1
[M+Na-2H]- 387.16025 183.6
[M]+ 366.18503 182.7
[M]- 366.18613 182.7
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

No patent data available for this compound.