CID 3042626

60121-31-5

Structural Information

Molecular Formula
C21H19NO2S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C21H19NO2S/c1-14-10-11-19(23)17(12-14)21(2)22(20(24)13-25-21)18-9-5-7-15-6-3-4-8-16(15)18/h3-12,23H,13H2,1-2H3
InChIKey
XRENYJQHYSEDJS-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-methylphenyl)-2-methyl-3-naphthalen-1-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.11365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12093 181.2
[M+Na]+ 372.10287 196.6
[M+NH4]+ 367.14747 191.9
[M+K]+ 388.07681 185.7
[M-H]- 348.10637 187.6
[M+Na-2H]- 370.08832 190.9
[M]+ 349.11310 186.1
[M]- 349.11420 186.1
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.