CID 20695566

863029-89-4

Structural Information

Molecular Formula
C16H16ClN3O2S
SMILES
CC1=CN=C(C(=C1Cl)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C16H16ClN3O2S/c1-9-7-18-14(10(2)15(9)17)8-23(21)16-19-12-5-4-11(22-3)6-13(12)20-16/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey
LZEPUBIBIWJUSW-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

349.0652 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07248 179.4
[M+Na]+ 372.05442 195.5
[M+NH4]+ 367.09902 186.9
[M+K]+ 388.02836 187.5
[M-H]- 348.05792 182.0
[M+Na-2H]- 370.03987 185.6
[M]+ 349.06465 183.3
[M]- 349.06575 183.3
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

patents stripe