CID 4988996

20028-34-6

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CN
InChI
InChI=1S/C15H15N3/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKey
VEVDESVNDYRKCI-UHFFFAOYSA-N
Compound name
(1-benzylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.7
[M+Na]+ 260.11582 162.4
[M-H]- 236.11932 157.8
[M+NH4]+ 255.16042 170.2
[M+K]+ 276.08976 156.6
[M+H-H2O]+ 220.12386 143.9
[M+HCOO]- 282.12480 176.6
[M+CH3COO]- 296.14045 165.4
[M+Na-2H]- 258.10127 159.7
[M]+ 237.12605 153.3
[M]- 237.12715 153.3
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