CID 101079

59568-87-5

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N=C(N3)N)N
InChI
InChI=1S/C13H12N4/c14-10-4-1-8(2-5-10)9-3-6-11-12(7-9)17-13(15)16-11/h1-7H,14H2,(H3,15,16,17)
InChIKey
VTIAAWFNZXZEGH-UHFFFAOYSA-N
Compound name
6-(4-aminophenyl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 147.2
[M+Na]+ 247.095418 157.6
[M-H]- 223.098924 151.4
[M+NH4]+ 242.140023 164.3
[M+K]+ 263.069358 151.1
[M+H-H2O]+ 207.103460 139.3
[M+HCOO]- 269.104401 170.9
[M+CH3COO]- 283.120051 159.8
[M+Na-2H]- 245.080866 154.0
[M]+ 224.10565142 144.4
[M]- 224.10674858 144.4
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

No patent data available for this compound.