CID 6447737

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

Structural Information

Molecular Formula
C22H24N2O3S
SMILES
CCC/C=C/1\C(=O)N(C(S1)C2=CC(=C(C=C2)C)C)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C22H24N2O3S/c1-4-5-10-19-21(27)24(23-20(26)17-8-6-7-9-18(17)25)22(28-19)16-12-11-14(2)15(3)13-16/h6-13,22,25H,4-5H2,1-3H3,(H,23,26)/b19-10+
InChIKey
LWPYQDKFWOOAGV-VXLYETTFSA-N
Compound name
N-[(5E)-5-butylidene-2-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.15076 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15804 196.2
[M+Na]+ 419.13998 203.1
[M-H]- 395.14348 203.7
[M+NH4]+ 414.18458 207.8
[M+K]+ 435.11392 196.2
[M+H-H2O]+ 379.14802 188.0
[M+HCOO]- 441.14896 210.5
[M+CH3COO]- 455.16461 221.8
[M+Na-2H]- 417.12543 190.7
[M]+ 396.15021 197.7
[M]- 396.15131 197.7
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.