CID 389564

Nsc685870

Structural Information

Molecular Formula
C12H13ClN2O4S
SMILES
CCCN1C(=O)CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O4S/c1-2-7-14-11(16)8-15(12(14)17)20(18,19)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
InChIKey
DBHQHKXAYOYAEM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-propylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.02844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03572 168.4
[M+Na]+ 339.01766 179.2
[M-H]- 315.02116 173.5
[M+NH4]+ 334.06226 183.8
[M+K]+ 354.99160 174.1
[M+H-H2O]+ 299.02570 162.3
[M+HCOO]- 361.02664 179.0
[M+CH3COO]- 375.04229 199.6
[M+Na-2H]- 337.00311 167.9
[M]+ 316.02789 173.8
[M]- 316.02899 173.8
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

No patent data available for this compound.