CID 6448331

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

Structural Information

Molecular Formula
C24H21NO2S
SMILES
CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CC=C3O)/SC2(C)C4=CC=CC=C4
InChI
InChI=1S/C24H21NO2S/c1-17-9-8-13-20(15-17)25-23(27)22(16-18-10-6-7-14-21(18)26)28-24(25,2)19-11-4-3-5-12-19/h3-16,26H,1-2H3/b22-16-
InChIKey
NDWQLCFLMYIKBP-JWGURIENSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-3-(3-methylphenyl)-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1293 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13658 193.8
[M+Na]+ 410.11852 202.7
[M-H]- 386.12202 204.6
[M+NH4]+ 405.16312 207.6
[M+K]+ 426.09246 194.7
[M+H-H2O]+ 370.12656 184.9
[M+HCOO]- 432.12750 208.7
[M+CH3COO]- 446.14315 203.8
[M+Na-2H]- 408.10397 191.5
[M]+ 387.12875 193.9
[M]- 387.12985 193.9
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.