CID 387421

Nsc681170

Structural Information

Molecular Formula
C16H14ClN3O4S2
SMILES
C1CN(C(=O)N1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S
InChI
InChI=1S/C16H14ClN3O4S2/c17-12-9-13(25)14(26(23,24)20-7-6-18-16(20)22)8-11(12)15(21)19-10-4-2-1-3-5-10/h1-5,8-9,25H,6-7H2,(H,18,22)(H,19,21)
InChIKey
FDLBONAJAJGTIG-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-oxoimidazolidin-1-yl)sulfonyl-N-phenyl-4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0114 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.01868 190.8
[M+Na]+ 434.00062 199.3
[M-H]- 410.00412 197.1
[M+NH4]+ 429.04522 201.1
[M+K]+ 449.97456 191.7
[M+H-H2O]+ 394.00866 184.5
[M+HCOO]- 456.00960 195.0
[M+CH3COO]- 470.02525 214.7
[M+Na-2H]- 431.98607 189.6
[M]+ 411.01085 193.2
[M]- 411.01195 193.2
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.