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]+ 251.048486 153.7
[M+Na]+ 273.030428 162.1
[M-H]- 249.033934 158.3
[M+NH4]+ 268.075033 171.1
[M+K]+ 289.004368 157.3
[M+H-H2O]+ 233.038470 147.1
[M+HCOO]- 295.039411 171.4
[M+CH3COO]- 309.055061 188.3
[M+Na-2H]- 271.015876 154.1
[M]+ 250.04066142 153.2
[M]- 250.04175858 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.