CID 6447736

Benzamide, n-(5-butylidene-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-thiazolidinyl)-2-hydroxy-

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]+ 415.132216 197.4
[M+Na]+ 437.114158 203.5
[M-H]- 413.117664 203.6
[M+NH4]+ 432.158763 207.2
[M+K]+ 453.088098 197.5
[M+H-H2O]+ 397.122200 189.3
[M+HCOO]- 459.123141 210.8
[M+CH3COO]- 473.138791 221.3
[M+Na-2H]- 435.099606 192.7
[M]+ 414.12439142 199.5
[M]- 414.12548858 199.5
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.