CID 45032

63887-19-4

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N4O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,15H2,(H2,16,17,18,19)
InChIKey
AAXLOKUTFYXXMQ-UHFFFAOYSA-N
Compound name
4-amino-N-(1H-benzimidazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.1011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 153.7
[M+Na]+ 275.09032 162.4
[M-H]- 251.09382 158.0
[M+NH4]+ 270.13492 169.4
[M+K]+ 291.06426 156.6
[M+H-H2O]+ 235.09836 145.2
[M+HCOO]- 297.09930 177.0
[M+CH3COO]- 311.11495 165.5
[M+Na-2H]- 273.07577 160.5
[M]+ 252.10055 151.7
[M]- 252.10165 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe