CID 1269457

3-amino-5-[(4-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C11H10N2O2S2
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)N
InChI
InChI=1S/C11H10N2O2S2/c1-15-8-4-2-7(3-5-8)6-9-10(14)13(12)11(16)17-9/h2-6H,12H2,1H3/b9-6+
InChIKey
OMBVNFXWGGZJGQ-RMKNXTFCSA-N
Compound name
(5E)-3-amino-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01837 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02565 156.8
[M+Na]+ 289.00759 166.6
[M-H]- 265.01109 162.1
[M+NH4]+ 284.05219 174.5
[M+K]+ 304.98153 160.3
[M+H-H2O]+ 249.01563 150.8
[M+HCOO]- 311.01657 169.3
[M+CH3COO]- 325.03222 194.4
[M+Na-2H]- 286.99304 154.0
[M]+ 266.01782 157.2
[M]- 266.01892 157.2
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.