CID 5851417

Schembl6418603

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

6
Patents

250.04121 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 155.1
[M+Na]+ 273.03043 165.8
[M+NH4]+ 268.07503 162.0
[M+K]+ 289.00437 160.6
[M-H]- 249.03393 157.2
[M+Na-2H]- 271.01588 159.5
[M]+ 250.04066 157.3
[M]- 250.04176 157.3
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

patents stripe