CID 3042638

60158-82-9

Structural Information

Molecular Formula
C17H16ClNO2S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C17H16ClNO2S/c1-11-7-8-15(20)12(9-11)17(2)19(16(21)10-22-17)14-6-4-3-5-13(14)18/h3-9,20H,10H2,1-2H3
InChIKey
ZFNKHNAIOCBMMV-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-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

333.05902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06630 173.7
[M+Na]+ 356.04824 184.6
[M-H]- 332.05174 182.0
[M+NH4]+ 351.09284 191.4
[M+K]+ 372.02218 177.7
[M+H-H2O]+ 316.05628 167.7
[M+HCOO]- 378.05722 184.8
[M+CH3COO]- 392.07287 185.5
[M+Na-2H]- 354.03369 172.5
[M]+ 333.05847 177.1
[M]- 333.05957 177.1
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.