CID 5851417

Hms1486b14

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)O
InChI
InChI=1S/C11H10N2O3S/c1-16-8-3-2-6(4-7(8)14)5-9-10(15)13-11(12)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5-
InChIKey
WCHCAGWRYJMMPY-UITAMQMPSA-N
Compound name
(5Z)-2-amino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.048486 153.2
[M+Na]+ 273.030428 163.0
[M-H]- 249.033934 158.0
[M+NH4]+ 268.075033 170.7
[M+K]+ 289.004368 158.3
[M+H-H2O]+ 233.038470 146.8
[M+HCOO]- 295.039411 171.4
[M+CH3COO]- 309.055061 190.0
[M+Na-2H]- 271.015876 152.8
[M]+ 250.04066142 154.3
[M]- 250.04175858 154.3
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.