CID 68878

Cipropride

Structural Information

Molecular Formula
C17H25N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CCCN2CC3CC3
InChI
InChI=1S/C17H25N3O4S/c1-24-16-7-6-14(25(18,22)23)9-15(16)17(21)19-10-13-3-2-8-20(13)11-12-4-5-12/h6-7,9,12-13H,2-5,8,10-11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKey
BTYDXWCTJDAEHA-UHFFFAOYSA-N
Compound name
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

37
Patents

367.1566 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.163876 179.1
[M+Na]+ 390.145818 185.2
[M-H]- 366.149324 186.9
[M+NH4]+ 385.190423 186.8
[M+K]+ 406.119758 179.9
[M+H-H2O]+ 350.153860 172.0
[M+HCOO]- 412.154801 194.6
[M+CH3COO]- 426.170451 217.9
[M+Na-2H]- 388.131266 178.2
[M]+ 367.15605142 182.5
[M]- 367.15714858 182.5
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