CID 1549818

(5z)-3-ethyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C12H10N2O3S2
SMILES
CCN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S
InChI
InChI=1S/C12H10N2O3S2/c1-2-13-11(15)10(19-12(13)18)7-8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3/b10-7-
InChIKey
XCNKVWYLWGAVOO-YFHOEESVSA-N
Compound name
(5Z)-3-ethyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.01328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02056 164.2
[M+Na]+ 317.00250 172.1
[M-H]- 293.00600 169.7
[M+NH4]+ 312.04710 179.9
[M+K]+ 332.97644 161.8
[M+H-H2O]+ 277.01054 162.1
[M+HCOO]- 339.01148 176.6
[M+CH3COO]- 353.02713 192.1
[M+Na-2H]- 314.98795 163.2
[M]+ 294.01273 162.6
[M]- 294.01383 162.6
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.