CID 135435726

73855-61-5

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N/C(=N\O)/S2
InChI
InChI=1S/C11H10N2O3S/c1-16-8-4-2-7(3-5-8)6-9-10(14)12-11(13-15)17-9/h2-6,15H,1H3,(H,12,13,14)/b9-6+
InChIKey
YBNAOFICFVJVBL-RMKNXTFCSA-N
Compound name
(2E,5E)-2-hydroxyimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 153.7
[M+Na]+ 273.03043 162.1
[M-H]- 249.03393 158.3
[M+NH4]+ 268.07503 171.1
[M+K]+ 289.00437 157.3
[M+H-H2O]+ 233.03847 147.1
[M+HCOO]- 295.03941 171.4
[M+CH3COO]- 309.05506 188.3
[M+Na-2H]- 271.01588 154.1
[M]+ 250.04066 153.2
[M]- 250.04176 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.