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]+ 224.11823 148.7
[M+Na]+ 246.10017 159.9
[M-H]- 222.10367 154.5
[M+NH4]+ 241.14477 167.2
[M+K]+ 262.07411 154.3
[M+H-H2O]+ 206.10821 140.5
[M+HCOO]- 268.10915 173.0
[M+CH3COO]- 282.12480 162.3
[M+Na-2H]- 244.08562 155.5
[M]+ 223.11040 149.5
[M]- 223.11150 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.