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-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

359.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.137646 184.2
[M+Na]+ 382.119588 196.6
[M-H]- 358.123094 189.8
[M+NH4]+ 377.164193 197.4
[M+K]+ 398.093528 191.5
[M+H-H2O]+ 342.127630 175.9
[M+HCOO]- 404.128571 199.9
[M+CH3COO]- 418.144221 216.2
[M+Na-2H]- 380.105036 183.3
[M]+ 359.12982142 194.8
[M]- 359.13091858 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