CID 83449288

912765-24-3

Structural Information

Molecular Formula
C14H13N3
SMILES
CN1C=NC2=C1C=CC(=C2)NC3=CC=CC=C3
InChI
InChI=1S/C14H13N3/c1-17-10-15-13-9-12(7-8-14(13)17)16-11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey
FEUKXSGSRAHNOK-UHFFFAOYSA-N
Compound name
1-methyl-N-phenylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 147.6
[M+Na]+ 246.100168 157.8
[M-H]- 222.103674 153.5
[M+NH4]+ 241.144773 166.0
[M+K]+ 262.074108 152.6
[M+H-H2O]+ 206.108210 139.0
[M+HCOO]- 268.109151 172.5
[M+CH3COO]- 282.124801 161.1
[M+Na-2H]- 244.085616 156.2
[M]+ 223.11040142 148.9
[M]- 223.11149858 148.9
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.