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 197.4
[M+Na]+ 437.11416 203.5
[M-H]- 413.11766 203.6
[M+NH4]+ 432.15876 207.2
[M+K]+ 453.08810 197.5
[M+H-H2O]+ 397.12220 189.3
[M+HCOO]- 459.12314 210.8
[M+CH3COO]- 473.13879 221.3
[M+Na-2H]- 435.09961 192.7
[M]+ 414.12439 199.5
[M]- 414.12549 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.