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]+ 408.195146 206.8
[M+Na]+ 430.177088 212.7
[M-H]- 406.180594 209.5
[M+NH4]+ 425.221693 216.2
[M+K]+ 446.151028 208.4
[M+H-H2O]+ 390.185130 193.1
[M+HCOO]- 452.186071 214.5
[M+CH3COO]- 466.201721 229.1
[M+Na-2H]- 428.162536 204.1
[M]+ 407.18732142 203.5
[M]- 407.18841858 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.