CID 685040

321680-96-0

Structural Information

Molecular Formula
C15H14N2OS
SMILES
COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKey
SFNVMKKUISRNFE-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

18
Patents

270.08267 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 158.8
[M+Na]+ 293.07189 169.7
[M-H]- 269.07539 163.5
[M+NH4]+ 288.11649 175.8
[M+K]+ 309.04583 163.4
[M+H-H2O]+ 253.07993 151.4
[M+HCOO]- 315.08087 176.3
[M+CH3COO]- 329.09652 171.2
[M+Na-2H]- 291.05734 162.9
[M]+ 270.08212 163.2
[M]- 270.08322 163.2
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.