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

0
Patents

250.04121 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 153.2
[M+Na]+ 273.03043 163.0
[M-H]- 249.03393 158.0
[M+NH4]+ 268.07503 170.7
[M+K]+ 289.00437 158.3
[M+H-H2O]+ 233.03847 146.8
[M+HCOO]- 295.03941 171.4
[M+CH3COO]- 309.05506 190.0
[M+Na-2H]- 271.01588 152.8
[M]+ 250.04066 154.3
[M]- 250.04176 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

literature stripe

Patent stripe

patents stripe