CID 3042639

60161-10-6

Structural Information

Molecular Formula
C17H23NO2S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)C3CCCCC3)C
InChI
InChI=1S/C17H23NO2S/c1-12-8-9-15(19)14(10-12)17(2)18(16(20)11-21-17)13-6-4-3-5-7-13/h8-10,13,19H,3-7,11H2,1-2H3
InChIKey
CYWBCKCEDUUCAY-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-(2-hydroxy-5-methylphenyl)-2-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14496 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15224 171.8
[M+Na]+ 328.13418 182.8
[M+NH4]+ 323.17878 181.7
[M+K]+ 344.10812 173.9
[M-H]- 304.13768 176.4
[M+Na-2H]- 326.11963 178.6
[M]+ 305.14441 175.2
[M]- 305.14551 175.2
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.