CID 6447736

N-(5-butylidene-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-thiazolidinyl)-2- hydroxybenzamide

Structural Information

Molecular Formula
C21H22N2O5S
SMILES
CCC/C=C/1\C(=O)N(C(S1)C2=CC(=C(C=C2)OC)O)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C21H22N2O5S/c1-3-4-9-18-20(27)23(22-19(26)14-7-5-6-8-15(14)24)21(29-18)13-10-11-17(28-2)16(25)12-13/h5-12,21,24-25H,3-4H2,1-2H3,(H,22,26)/b18-9+
InChIKey
KKADWALYFLCISQ-GIJQJNRQSA-N
Compound name
N-[(5E)-5-butylidene-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.12494 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13222 199.1
[M+Na]+ 437.11416 208.9
[M+NH4]+ 432.15876 203.7
[M+K]+ 453.08810 203.6
[M-H]- 413.11766 201.9
[M+Na-2H]- 435.09961 202.8
[M]+ 414.12439 201.4
[M]- 414.12549 201.4
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.