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 171.6
[M+Na]+ 328.13418 177.9
[M-H]- 304.13768 178.3
[M+NH4]+ 323.17878 189.0
[M+K]+ 344.10812 173.0
[M+H-H2O]+ 288.14222 164.8
[M+HCOO]- 350.14316 183.0
[M+CH3COO]- 364.15881 181.8
[M+Na-2H]- 326.11963 168.6
[M]+ 305.14441 168.3
[M]- 305.14551 168.3
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.