CID 65942

Saviprazole

Structural Information

Molecular Formula
C15H10F7N3O2S2
SMILES
C1=CN=C(C=C1OCC(C(C(F)(F)F)(F)F)(F)F)CS(=O)C2=NC3=CSC=C3N2
InChI
InChI=1S/C15H10F7N3O2S2/c16-13(17,14(18,19)15(20,21)22)7-27-9-1-2-23-8(3-9)6-29(26)12-24-10-4-28-5-11(10)25-12/h1-5H,6-7H2,(H,24,25)
InChIKey
ARFGGIRJBPTBPP-UHFFFAOYSA-N
Compound name
2-[[4-(2,2,3,3,4,4,4-heptafluorobutoxy)pyridin-2-yl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

251
Patents

461.01025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.01753 191.1
[M+Na]+ 483.99947 193.1
[M+NH4]+ 479.04407 191.2
[M+K]+ 499.97341 190.7
[M-H]- 460.00297 183.6
[M+Na-2H]- 481.98492 189.9
[M]+ 461.00970 189.3
[M]- 461.01080 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe