CID 357242

Nsc615412

Structural Information

Molecular Formula
C15H11Cl2N3O4S
SMILES
C1C(=O)N(C(S1(=O)=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C15H11Cl2N3O4S/c16-10-1-2-11(12(17)7-10)15-20(13(21)8-25(15,23)24)19-14(22)9-3-5-18-6-4-9/h1-7,15H,8H2,(H,19,22)
InChIKey
NYKBCRSUTNSKEK-UHFFFAOYSA-N
Compound name
N-[2-(2,4-dichlorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.99202 182.5
[M+Na]+ 421.97396 193.6
[M-H]- 397.97746 190.5
[M+NH4]+ 417.01856 196.4
[M+K]+ 437.94790 187.2
[M+H-H2O]+ 381.98200 176.1
[M+HCOO]- 443.98294 190.2
[M+CH3COO]- 457.99859 214.3
[M+Na-2H]- 419.95941 182.2
[M]+ 398.98419 187.9
[M]- 398.98529 187.9
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.