CID 155794

Ufiprazole

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey
XURCIPRUUASYLR-UHFFFAOYSA-N
Compound name
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

8691
Patents

329.1198 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 178.1
[M+Na]+ 352.10902 193.5
[M+NH4]+ 347.15362 185.5
[M+K]+ 368.08296 185.5
[M-H]- 328.11252 181.0
[M+Na-2H]- 350.09447 184.4
[M]+ 329.11925 181.7
[M]- 329.12035 181.7
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