CID 3085410

Tinisulpride

Structural Information

Molecular Formula
C20H29N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)(C)C#C)OC
InChI
InChI=1S/C20H29N3O4S/c1-6-20(3,4)22-28(25,26)16-10-11-18(27-5)17(13-16)19(24)21-14-15-9-8-12-23(15)7-2/h1,10-11,13,15,22H,7-9,12,14H2,2-5H3,(H,21,24)
InChIKey
NRRAENDOSDLNRQ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(2-methylbut-3-yn-2-ylsulfamoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

407.18787 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19515 206.8
[M+Na]+ 430.17709 212.7
[M-H]- 406.18059 209.5
[M+NH4]+ 425.22169 216.2
[M+K]+ 446.15103 208.4
[M+H-H2O]+ 390.18513 193.1
[M+HCOO]- 452.18607 214.5
[M+CH3COO]- 466.20172 229.1
[M+Na-2H]- 428.16254 204.1
[M]+ 407.18732 203.5
[M]- 407.18842 203.5
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.