CID 3033626

Zidapamide

Structural Information

Molecular Formula
C16H16ClN3O3S
SMILES
CC1C2=CC=CC=C2CN1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)
InChIKey
BHUKYXOYJMLRAK-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

50
Patents

365.0601 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.067376 182.7
[M+Na]+ 388.049318 191.9
[M-H]- 364.052824 189.3
[M+NH4]+ 383.093923 197.5
[M+K]+ 404.023258 185.8
[M+H-H2O]+ 348.057360 176.6
[M+HCOO]- 410.058301 194.5
[M+CH3COO]- 424.073951 214.6
[M+Na-2H]- 386.034766 184.0
[M]+ 365.05955142 186.1
[M]- 365.06064858 186.1
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