CID 19627294

1820683-68-8

Structural Information

Molecular Formula
C15H15N3
SMILES
CC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)CN
InChI
InChI=1S/C15H15N3/c1-11-17-14-4-2-3-5-15(14)18(11)13-8-6-12(10-16)7-9-13/h2-9H,10,16H2,1H3
InChIKey
JSIPQQYAYITNDE-UHFFFAOYSA-N
Compound name
[4-(2-methylbenzimidazol-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 153.4
[M+Na]+ 260.11582 164.1
[M-H]- 236.11932 158.9
[M+NH4]+ 255.16042 171.2
[M+K]+ 276.08976 158.2
[M+H-H2O]+ 220.12386 144.9
[M+HCOO]- 282.12480 177.3
[M+CH3COO]- 296.14045 166.5
[M+Na-2H]- 258.10127 159.6
[M]+ 237.12605 154.4
[M]- 237.12715 154.4
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.