CID 3041015

53298-12-7

Structural Information

Molecular Formula
C16H16ClN3O3S
SMILES
CC1=CC(=CC=C1)N2CC(=O)N(C2)C3=C(C=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C16H16ClN3O3S/c1-11-3-2-4-12(7-11)19-9-16(21)20(10-19)15-6-5-13(8-14(15)17)24(18,22)23/h2-8H,9-10H2,1H3,(H2,18,22,23)
InChIKey
ACMFVPDOFPFKJE-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(3-methylphenyl)-5-oxoimidazolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.0601 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.067376 184.1
[M+Na]+ 388.049318 194.4
[M-H]- 364.052824 192.0
[M+NH4]+ 383.093923 196.9
[M+K]+ 404.023258 187.6
[M+H-H2O]+ 348.057360 176.6
[M+HCOO]- 410.058301 194.8
[M+CH3COO]- 424.073951 211.8
[M+Na-2H]- 386.034766 182.9
[M]+ 365.05955142 186.7
[M]- 365.06064858 186.7
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

patents stripe