CID 170742

43182-10-1

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
InChIKey
LXIDSOCBAAMGJX-UHFFFAOYSA-N
Compound name
1-benzylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

81
Patents

223.11095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.1
[M+Na]+ 246.100168 158.3
[M-H]- 222.103674 153.4
[M+NH4]+ 241.144773 166.2
[M+K]+ 262.074108 152.7
[M+H-H2O]+ 206.108210 139.5
[M+HCOO]- 268.109151 172.4
[M+CH3COO]- 282.124801 161.3
[M+Na-2H]- 244.085616 155.7
[M]+ 223.11040142 148.4
[M]- 223.11149858 148.4
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