CID 5324591

5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1h-benzimidazole

Structural Information

Molecular Formula
C18H21N3O3S
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2C)C=CC(=C3)OC
InChI
InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-8-13(23-4)6-7-16(14)21(18)3/h6-9H,10H2,1-5H3
InChIKey
RUGQJBJNYIHOIW-UHFFFAOYSA-N
Compound name
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

359.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13765 184.2
[M+Na]+ 382.11959 196.6
[M-H]- 358.12309 189.8
[M+NH4]+ 377.16419 197.4
[M+K]+ 398.09353 191.5
[M+H-H2O]+ 342.12763 175.9
[M+HCOO]- 404.12857 199.9
[M+CH3COO]- 418.14422 216.2
[M+Na-2H]- 380.10504 183.3
[M]+ 359.12982 194.8
[M]- 359.13092 194.8
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

patents stripe