CID 3042640

60161-11-7

Structural Information

Molecular Formula
C18H19NO2S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)C3=CC=CC=C3C)C
InChI
InChI=1S/C18H19NO2S/c1-12-8-9-16(20)14(10-12)18(3)19(17(21)11-22-18)15-7-5-4-6-13(15)2/h4-10,20H,11H2,1-3H3
InChIKey
ISJVQJXGSWSOEK-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-methylphenyl)-2-methyl-3-(2-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.11365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 171.4
[M+Na]+ 336.10287 181.3
[M-H]- 312.10637 179.7
[M+NH4]+ 331.14747 189.0
[M+K]+ 352.07681 175.6
[M+H-H2O]+ 296.11091 164.7
[M+HCOO]- 358.11185 186.8
[M+CH3COO]- 372.12750 183.3
[M+Na-2H]- 334.08832 170.2
[M]+ 313.11310 173.1
[M]- 313.11420 173.1
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.