CID 71223

Picoprazole

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CC1=C(N=CC=C1)CS(=O)C2=NC3=C(N2)C=C(C(=C3)C(=O)OC)C
InChI
InChI=1S/C17H17N3O3S/c1-10-5-4-6-18-15(10)9-24(22)17-19-13-7-11(2)12(16(21)23-3)8-14(13)20-17/h4-8H,9H2,1-3H3,(H,19,20)
InChIKey
ASSMECARUIRCML-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-[(3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

230
Patents

343.09906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 178.8
[M+Na]+ 366.08828 189.6
[M-H]- 342.09178 182.7
[M+NH4]+ 361.13288 191.3
[M+K]+ 382.06222 183.9
[M+H-H2O]+ 326.09632 170.8
[M+HCOO]- 388.09726 192.7
[M+CH3COO]- 402.11291 208.0
[M+Na-2H]- 364.07373 178.6
[M]+ 343.09851 185.2
[M]- 343.09961 185.2
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.