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-dimethyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 26
References: 6755
Patents: 329.1198 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.127076	176.7
[M+Na]+	352.109018	188.8
[M-H]-	328.112524	180.7
[M+NH4]+	347.153623	190.5
[M+K]+	368.082958	182.5
[M+H-H2O]+	312.117060	168.6
[M+HCOO]-	374.118001	192.1
[M+CH3COO]-	388.133651	188.1
[M+Na-2H]-	350.094466	177.6
[M]+	329.11925142	184.7
[M]-	329.12034858	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe