CID 13526234

53897-96-4

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N
InChI
InChI=1S/C14H13N3/c1-10-2-5-12(6-3-10)17-9-16-13-8-11(15)4-7-14(13)17/h2-9H,15H2,1H3
InChIKey
DAQJGJHOLQNINM-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.7
[M+Na]+ 246.100168 159.9
[M-H]- 222.103674 154.5
[M+NH4]+ 241.144773 167.2
[M+K]+ 262.074108 154.3
[M+H-H2O]+ 206.108210 140.5
[M+HCOO]- 268.109151 173.0
[M+CH3COO]- 282.124801 162.3
[M+Na-2H]- 244.085616 155.5
[M]+ 223.11040142 149.5
[M]- 223.11149858 149.5
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.