CID 6475267

3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-5-methyl-2-[(e)-styryl]thiazolidin-4-one

Structural Information

Molecular Formula
C22H25NO2S
SMILES
CC1C(=O)N(C(S1)/C=C/C2=CC=CC=C2)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C22H25NO2S/c1-14(2)18-13-19(15(3)12-20(18)24)23-21(26-16(4)22(23)25)11-10-17-8-6-5-7-9-17/h5-14,16,21,24H,1-4H3/b11-10+
InChIKey
BKYZAIHEJBLTAK-ZHACJKMWSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1606 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16788 189.2
[M+Na]+ 390.14982 197.0
[M-H]- 366.15332 196.9
[M+NH4]+ 385.19442 202.6
[M+K]+ 406.12376 190.2
[M+H-H2O]+ 350.15786 181.6
[M+HCOO]- 412.15880 202.2
[M+CH3COO]- 426.17445 215.8
[M+Na-2H]- 388.13527 182.7
[M]+ 367.16005 190.8
[M]- 367.16115 190.8
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.