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]+ 280.07503 160.8
[M+Na]+ 302.05697 168.6
[M-H]- 278.06047 167.9
[M+NH4]+ 297.10157 178.0
[M+K]+ 318.03091 165.2
[M+H-H2O]+ 262.06501 152.9
[M+HCOO]- 324.06595 182.0
[M+CH3COO]- 338.08160 201.3
[M+Na-2H]- 300.04242 162.2
[M]+ 279.06720 163.6
[M]- 279.06830 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