CID 3057290

74008-09-6

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=CC=C3
InChI
InChI=1S/C15H13N3O3S/c19-14-10-22-15(11-5-4-8-13(9-11)18(20)21)17(14)16-12-6-2-1-3-7-12/h1-9,15-16H,10H2
InChIKey
AKFJWHDQTOMVCG-UHFFFAOYSA-N
Compound name
3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06775 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.075026 168.6
[M+Na]+ 338.056968 174.1
[M-H]- 314.060474 177.2
[M+NH4]+ 333.101573 182.3
[M+K]+ 354.030908 165.1
[M+H-H2O]+ 298.065010 164.4
[M+HCOO]- 360.065951 187.9
[M+CH3COO]- 374.081601 198.7
[M+Na-2H]- 336.042416 171.9
[M]+ 315.06720142 165.6
[M]- 315.06829858 165.6
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.