CID 6435573

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

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]+ 399.13732 194.8
[M+Na]+ 421.11926 201.0
[M-H]- 397.12276 202.1
[M+NH4]+ 416.16386 205.9
[M+K]+ 437.09320 195.0
[M+H-H2O]+ 381.12730 186.4
[M+HCOO]- 443.12824 209.7
[M+CH3COO]- 457.14389 219.8
[M+Na-2H]- 419.10471 190.8
[M]+ 398.12949 196.9
[M]- 398.13059 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.