CID 493264

2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1h-benzimidazole

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)OC
InChI
InChI=1S/C16H16N2OS/c1-11-6-7-14-15(8-11)18-16(17-14)20-10-12-4-3-5-13(9-12)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
AHAPLUMMHSQMCL-UHFFFAOYSA-N
Compound name
2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.09833 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 163.7
[M+Na]+ 307.08755 174.9
[M-H]- 283.09105 168.5
[M+NH4]+ 302.13215 180.3
[M+K]+ 323.06149 168.5
[M+H-H2O]+ 267.09559 156.2
[M+HCOO]- 329.09653 180.8
[M+CH3COO]- 343.11218 175.9
[M+Na-2H]- 305.07300 166.5
[M]+ 284.09778 168.8
[M]- 284.09888 168.8
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.