CID 3050040

Gs 414

Structural Information

Molecular Formula
C16H14ClN3O4S
SMILES
CC1=CC=CC=C1N2CC(=O)N(C2=O)C3=C(C=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C16H14ClN3O4S/c1-10-4-2-3-5-13(10)19-9-15(21)20(16(19)22)14-7-6-11(8-12(14)17)25(18,23)24/h2-8H,9H2,1H3,(H2,18,23,24)
InChIKey
MPTHIBFYVKIEQM-UHFFFAOYSA-N
Compound name
3-chloro-4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.03937 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.04665 186.5
[M+Na]+ 402.02859 197.5
[M-H]- 378.03209 194.8
[M+NH4]+ 397.07319 198.7
[M+K]+ 418.00253 190.9
[M+H-H2O]+ 362.03663 179.2
[M+HCOO]- 424.03757 197.5
[M+CH3COO]- 438.05322 214.7
[M+Na-2H]- 400.01404 184.9
[M]+ 379.03882 190.2
[M]- 379.03992 190.2
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.