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 182.1
[M+Na]+ 372.10287 192.1
[M-H]- 348.10637 190.9
[M+NH4]+ 367.14747 199.0
[M+K]+ 388.07681 185.3
[M+H-H2O]+ 332.11091 174.5
[M+HCOO]- 394.11185 196.3
[M+CH3COO]- 408.12750 193.1
[M+Na-2H]- 370.08832 182.2
[M]+ 349.11310 183.6
[M]- 349.11420 183.6
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.