CID 6448330

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

Structural Information

Molecular Formula
C23H18N2O4S
SMILES
CC1(N(C(=O)/C(=C/C2=CC=CC=C2O)/S1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O4S/c1-23(17-8-3-2-4-9-17)24(18-11-13-19(14-12-18)25(28)29)22(27)21(30-23)15-16-7-5-6-10-20(16)26/h2-15,26H,1H3/b21-15-
InChIKey
YAYDIZWDRDSSLI-QNGOZBTKSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-3-(4-nitrophenyl)-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.09872 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10600 195.3
[M+Na]+ 441.08794 210.2
[M+NH4]+ 436.13254 203.8
[M+K]+ 457.06188 202.7
[M-H]- 417.09144 203.2
[M+Na-2H]- 439.07339 206.0
[M]+ 418.09817 200.2
[M]- 418.09927 200.2
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.