CID 16487116

(e)-5-(2,4-dihydroxybenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5h)-one

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
C1CCN(C1)C2=NC(=O)/C(=C\C3=C(C=C(C=C3)O)O)/S2
InChI
InChI=1S/C14H14N2O3S/c17-10-4-3-9(11(18)8-10)7-12-13(19)15-14(20-12)16-5-1-2-6-16/h3-4,7-8,17-18H,1-2,5-6H2/b12-7+
InChIKey
GZYBOZPAFOMTQK-KPKJPENVSA-N
Compound name
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

153
Patents

290.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 166.6
[M+Na]+ 313.06172 175.2
[M-H]- 289.06522 172.2
[M+NH4]+ 308.10632 182.6
[M+K]+ 329.03566 169.9
[M+H-H2O]+ 273.06976 160.1
[M+HCOO]- 335.07070 180.4
[M+CH3COO]- 349.08635 177.5
[M+Na-2H]- 311.04717 162.4
[M]+ 290.07195 165.0
[M]- 290.07305 165.0
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.