CID 40320

52329-60-9

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N
InChI
InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChIKey
GPMHHSJZGVOEFS-UHFFFAOYSA-N
Compound name
(2-amino-3H-benzimidazol-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

83
Patents

237.09021 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 151.1
[M+Na]+ 260.07943 160.6
[M-H]- 236.08293 155.3
[M+NH4]+ 255.12403 167.6
[M+K]+ 276.05337 154.7
[M+H-H2O]+ 220.08747 142.9
[M+HCOO]- 282.08841 173.2
[M+CH3COO]- 296.10406 163.4
[M+Na-2H]- 258.06488 157.1
[M]+ 237.08966 149.7
[M]- 237.09076 149.7
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

patents stripe