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]+ 294.05431 163.8
[M+Na]+ 316.03625 170.7
[M-H]- 292.03975 171.1
[M+NH4]+ 311.08085 179.5
[M+K]+ 332.01019 163.6
[M+H-H2O]+ 276.04429 160.9
[M+HCOO]- 338.04523 183.5
[M+CH3COO]- 352.06088 197.8
[M+Na-2H]- 314.02170 165.0
[M]+ 293.04648 163.5
[M]- 293.04758 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.