CID 6435573

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

Structural Information

Molecular Formula
C21H22N2O4S
SMILES
CCC/C=C\1/C(=O)N(C(S1)C2=CC=CC=C2OC)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C21H22N2O4S/c1-3-4-13-18-20(26)23(22-19(25)14-9-5-7-11-16(14)24)21(28-18)15-10-6-8-12-17(15)27-2/h5-13,21,24H,3-4H2,1-2H3,(H,22,25)/b18-13-
InChIKey
ZQOJTDMPWAIMHP-AQTBWJFISA-N
Compound name
N-[(5Z)-5-butylidene-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13004 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.137316 194.8
[M+Na]+ 421.119258 201.0
[M-H]- 397.122764 202.1
[M+NH4]+ 416.163863 205.9
[M+K]+ 437.093198 195.0
[M+H-H2O]+ 381.127300 186.4
[M+HCOO]- 443.128241 209.7
[M+CH3COO]- 457.143891 219.8
[M+Na-2H]- 419.104706 190.8
[M]+ 398.12949142 196.9
[M]- 398.13058858 196.9
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.