CID 3042629

60121-34-8

Structural Information

Molecular Formula
C15H21NO2S
SMILES
CCCCN1C(=O)CSC1(C)C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C15H21NO2S/c1-4-5-8-16-14(18)10-19-15(16,3)12-9-11(2)6-7-13(12)17/h6-7,9,17H,4-5,8,10H2,1-3H3
InChIKey
BXNFZAXFNDJXDL-UHFFFAOYSA-N
Compound name
3-butyl-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

279.1293 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13658 163.0
[M+Na]+ 302.11852 171.7
[M-H]- 278.12202 167.5
[M+NH4]+ 297.16312 182.1
[M+K]+ 318.09246 167.2
[M+H-H2O]+ 262.12656 157.4
[M+HCOO]- 324.12750 177.8
[M+CH3COO]- 338.14315 196.7
[M+Na-2H]- 300.10397 161.6
[M]+ 279.12875 165.7
[M]- 279.12985 165.7
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.