CID 135602779

22067-71-6

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
C1=CC=C(C(=C1)/C=N/N=C\2/NC(=O)C(S2)CC(=O)O)O
InChI
InChI=1S/C12H11N3O4S/c16-8-4-2-1-3-7(8)6-13-15-12-14-11(19)9(20-12)5-10(17)18/h1-4,6,9,16H,5H2,(H,17,18)(H,14,15,19)/b13-6+
InChIKey
PFMCDFGTSNAOGO-AWNIVKPZSA-N
Compound name
2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.04703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05431 163.5
[M+Na]+ 316.03625 169.9
[M-H]- 292.03975 167.7
[M+NH4]+ 311.08085 178.3
[M+K]+ 332.01019 165.4
[M+H-H2O]+ 276.04429 156.2
[M+HCOO]- 338.04523 181.0
[M+CH3COO]- 352.06088 199.0
[M+Na-2H]- 314.02170 163.3
[M]+ 293.04648 162.6
[M]- 293.04758 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.