CID 473179

3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-(3-methoxy-4-methyl-phenyl)-5-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C22H27NO3S
SMILES
CC1C(=O)N(C(S1)C2=CC(=C(C=C2)C)OC)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C22H27NO3S/c1-12(2)17-11-18(14(4)9-19(17)24)23-21(25)15(5)27-22(23)16-8-7-13(3)20(10-16)26-6/h7-12,15,22,24H,1-6H3
InChIKey
XEKDWRIPEMSRAV-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-methoxy-4-methylphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17117 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17845 192.0
[M+Na]+ 408.16039 200.8
[M-H]- 384.16389 200.3
[M+NH4]+ 403.20499 205.1
[M+K]+ 424.13433 195.4
[M+H-H2O]+ 368.16843 184.7
[M+HCOO]- 430.16937 204.9
[M+CH3COO]- 444.18502 222.0
[M+Na-2H]- 406.14584 184.6
[M]+ 385.17062 196.7
[M]- 385.17172 196.7
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.