CID 1722408

(5e)-3-methyl-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C11H8N2O3S2
SMILES
CN1C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S
InChI
InChI=1S/C11H8N2O3S2/c1-12-10(14)9(18-11(12)17)6-7-2-4-8(5-3-7)13(15)16/h2-6H,1H3/b9-6+
InChIKey
YMEJCAHPHWEJTH-RMKNXTFCSA-N
Compound name
(5E)-3-methyl-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

279.99762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00490 159.8
[M+Na]+ 302.98684 168.2
[M-H]- 278.99034 165.6
[M+NH4]+ 298.03144 176.1
[M+K]+ 318.96078 158.1
[M+H-H2O]+ 262.99488 157.9
[M+HCOO]- 324.99582 172.6
[M+CH3COO]- 339.01147 189.2
[M+Na-2H]- 300.97229 159.3
[M]+ 279.99707 158.0
[M]- 279.99817 158.0
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.