CID 135454338

155225-31-3

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
COC1=C(C=C(C=C1)/C=N/N=C\2/NC(=O)CS2)OC
InChI
InChI=1S/C12H13N3O3S/c1-17-9-4-3-8(5-10(9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+
InChIKey
HIVYIIYHZZVIQJ-AWNIVKPZSA-N
Compound name
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.06775 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.075026 160.8
[M+Na]+ 302.056968 168.6
[M-H]- 278.060474 167.9
[M+NH4]+ 297.101573 178.0
[M+K]+ 318.030908 165.2
[M+H-H2O]+ 262.065010 152.9
[M+HCOO]- 324.065951 182.0
[M+CH3COO]- 338.081601 201.3
[M+Na-2H]- 300.042416 162.2
[M]+ 279.06720142 163.6
[M]- 279.06829858 163.6
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

patents stripe