CID 3042628

60121-33-7

Structural Information

Molecular Formula
C18H19NO2S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)CC3=CC=CC=C3)C
InChI
InChI=1S/C18H19NO2S/c1-13-8-9-16(20)15(10-13)18(2)19(17(21)12-22-18)11-14-6-4-3-5-7-14/h3-10,20H,11-12H2,1-2H3
InChIKey
QZHCVVSINFYMLU-UHFFFAOYSA-N
Compound name
3-benzyl-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

313.11365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 172.7
[M+Na]+ 336.10287 186.4
[M+NH4]+ 331.14747 182.7
[M+K]+ 352.07681 176.5
[M-H]- 312.10637 178.0
[M+Na-2H]- 334.08832 181.9
[M]+ 313.11310 176.9
[M]- 313.11420 176.9
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.