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
1
Annotation Hits

5
References

70
Patents

223.11095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 148.1
[M+Na]+ 246.10017 158.3
[M-H]- 222.10367 153.4
[M+NH4]+ 241.14477 166.2
[M+K]+ 262.07411 152.7
[M+H-H2O]+ 206.10821 139.5
[M+HCOO]- 268.10915 172.4
[M+CH3COO]- 282.12480 161.3
[M+Na-2H]- 244.08562 155.7
[M]+ 223.11040 148.4
[M]- 223.11150 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