CID 49768029

3-(6-methyl-2-pyridyl)-2-(2,4,6-trimethoxyphenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C18H20N2O4S
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=C(C=C3OC)OC)OC
InChI
InChI=1S/C18H20N2O4S/c1-11-6-5-7-15(19-11)20-16(21)10-25-18(20)17-13(23-3)8-12(22-2)9-14(17)24-4/h5-9,18H,10H2,1-4H3
InChIKey
ZFOHAVFESMENLQ-UHFFFAOYSA-N
Compound name
3-(6-methylpyridin-2-yl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.11438 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12166 183.4
[M+Na]+ 383.10360 193.0
[M-H]- 359.10710 191.7
[M+NH4]+ 378.14820 196.3
[M+K]+ 399.07754 188.9
[M+H-H2O]+ 343.11164 174.8
[M+HCOO]- 405.11258 199.2
[M+CH3COO]- 419.12823 213.9
[M+Na-2H]- 381.08905 180.5
[M]+ 360.11383 190.0
[M]- 360.11493 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.