CID 5468282

Nsc667510

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
CN(C)N1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=O
InChI
InChI=1S/C12H11N3O4S/c1-13(2)14-11(16)10(20-12(14)17)7-8-3-5-9(6-4-8)15(18)19/h3-7H,1-2H3/b10-7-
InChIKey
KDMUDFDUCZHUEI-YFHOEESVSA-N
Compound name
(5Z)-3-(dimethylamino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.04703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.054306 163.8
[M+Na]+ 316.036248 170.7
[M-H]- 292.039754 171.1
[M+NH4]+ 311.080853 179.5
[M+K]+ 332.010188 163.6
[M+H-H2O]+ 276.044290 160.9
[M+HCOO]- 338.045231 183.5
[M+CH3COO]- 352.060881 197.8
[M+Na-2H]- 314.021696 165.0
[M]+ 293.04648142 163.5
[M]- 293.04757858 163.5
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.