CID 3009973

1h-benzimidazole, 5-methyl-2-[(methylthio)phenylmethyl]-

Structural Information

Molecular Formula
C16H16N2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(C3=CC=CC=C3)SC
InChI
InChI=1S/C16H16N2S/c1-11-8-9-13-14(10-11)18-16(17-13)15(19-2)12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,17,18)
InChIKey
CVZVYLBMLFRFRZ-UHFFFAOYSA-N
Compound name
6-methyl-2-[methylsulfanyl(phenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 160.1
[M+Na]+ 291.09264 170.3
[M-H]- 267.09614 164.7
[M+NH4]+ 286.13724 177.1
[M+K]+ 307.06658 163.8
[M+H-H2O]+ 251.10068 152.7
[M+HCOO]- 313.10162 176.0
[M+CH3COO]- 327.11727 172.1
[M+Na-2H]- 289.07809 162.6
[M]+ 268.10287 162.9
[M]- 268.10397 162.9
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.