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]+ 316.07503 168.6
[M+Na]+ 338.05697 174.1
[M-H]- 314.06047 177.2
[M+NH4]+ 333.10157 182.3
[M+K]+ 354.03091 165.1
[M+H-H2O]+ 298.06501 164.4
[M+HCOO]- 360.06595 187.9
[M+CH3COO]- 374.08160 198.7
[M+Na-2H]- 336.04242 171.9
[M]+ 315.06720 165.6
[M]- 315.06830 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.