CID 3041011

Gs 348

Structural Information

Molecular Formula
C16H16ClN3O4S
SMILES
COC1=CC=C(C=C1)N2CC(=O)N(C2)C3=C(C=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C16H16ClN3O4S/c1-24-12-4-2-11(3-5-12)19-9-16(21)20(10-19)15-7-6-13(8-14(15)17)25(18,22)23/h2-8H,9-10H2,1H3,(H2,18,22,23)
InChIKey
RDUTXSTWUSVKMJ-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(4-methoxyphenyl)-5-oxoimidazolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06228 186.6
[M+Na]+ 404.04422 196.5
[M-H]- 380.04772 194.4
[M+NH4]+ 399.08882 198.5
[M+K]+ 420.01816 190.5
[M+H-H2O]+ 364.05226 178.9
[M+HCOO]- 426.05320 197.5
[M+CH3COO]- 440.06885 214.1
[M+Na-2H]- 402.02967 185.7
[M]+ 381.05445 190.5
[M]- 381.05555 190.5
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

patents stripe