CID 3009978

1-methyl-2-[methylsulfanyl(phenyl)methyl]benzimidazole

Structural Information

Molecular Formula
C16H16N2S
SMILES
CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)SC
InChI
InChI=1S/C16H16N2S/c1-18-14-11-7-6-10-13(14)17-16(18)15(19-2)12-8-4-3-5-9-12/h3-11,15H,1-2H3
InChIKey
UXVNCWHTNBHGMG-UHFFFAOYSA-N
Compound name
1-methyl-2-[methylsulfanyl(phenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10342 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 160.3
[M+Na]+ 291.09264 171.0
[M-H]- 267.09614 166.3
[M+NH4]+ 286.13724 178.1
[M+K]+ 307.06658 165.4
[M+H-H2O]+ 251.10068 152.6
[M+HCOO]- 313.10162 177.7
[M+CH3COO]- 327.11727 173.0
[M+Na-2H]- 289.07809 163.1
[M]+ 268.10287 164.9
[M]- 268.10397 164.9
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.