CID 6448333

4-thiazolidinone, 5-((2-hydroxyphenyl)methylene)-2-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)-

Structural Information

Molecular Formula
C24H20N2O5S
SMILES
CC1(N(C(=O)/C(=C/C2=CC=CC=C2O)/S1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H20N2O5S/c1-24(17-7-13-20(31-2)14-8-17)25(18-9-11-19(12-10-18)26(29)30)23(28)22(32-24)15-16-5-3-4-6-21(16)27/h3-15,27H,1-2H3/b22-15-
InChIKey
DZEHHQZOIINZCB-JCMHNJIXSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10928 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11656 206.7
[M+Na]+ 471.09850 212.6
[M-H]- 447.10200 217.3
[M+NH4]+ 466.14310 216.3
[M+K]+ 487.07244 202.1
[M+H-H2O]+ 431.10654 201.6
[M+HCOO]- 493.10748 222.1
[M+CH3COO]- 507.12313 220.0
[M+Na-2H]- 469.08395 207.0
[M]+ 448.10873 206.4
[M]- 448.10983 206.4
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.