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 199.5
[M+Na]+ 441.08794 205.5
[M-H]- 417.09144 209.9
[M+NH4]+ 436.13254 210.2
[M+K]+ 457.06188 194.4
[M+H-H2O]+ 401.09598 194.5
[M+HCOO]- 463.09692 215.1
[M+CH3COO]- 477.11257 213.8
[M+Na-2H]- 439.07339 200.3
[M]+ 418.09817 197.2
[M]- 418.09927 197.2
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.