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 185.6
[M+Na]+ 402.02859 198.3
[M+NH4]+ 397.07319 191.2
[M+K]+ 418.00253 192.8
[M-H]- 378.03209 188.5
[M+Na-2H]- 400.01404 191.3
[M]+ 379.03882 188.8
[M]- 379.03992 188.8
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.