CID 24260

7621-86-5

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)N
InChI
InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
InChIKey
XAFOTXWPFVZQAZ-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1628
Patents

224.1062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 148.3
[M+Na]+ 247.09542 162.3
[M+NH4]+ 242.14002 156.8
[M+K]+ 263.06936 157.1
[M-H]- 223.09892 153.0
[M+Na-2H]- 245.08087 156.9
[M]+ 224.10565 151.5
[M]- 224.10675 151.5
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