CID 3008660

Schembl15252398

Structural Information

Molecular Formula
C20H15ClN4O
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NCC4=CC=CC=N4)Cl
InChI
InChI=1S/C20H15ClN4O/c21-16-7-2-1-6-15(16)19-24-17-9-8-13(11-18(17)25-19)20(26)23-12-14-5-3-4-10-22-14/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKey
VELAOFBZXHQAAB-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

362.09344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10072 183.2
[M+Na]+ 385.08266 192.8
[M-H]- 361.08616 189.1
[M+NH4]+ 380.12726 193.9
[M+K]+ 401.05660 183.7
[M+H-H2O]+ 345.09070 172.5
[M+HCOO]- 407.09164 198.9
[M+CH3COO]- 421.10729 192.9
[M+Na-2H]- 383.06811 188.1
[M]+ 362.09289 185.2
[M]- 362.09399 185.2
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