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-methyl-2-pyridinyl)-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]+ 361.121656 183.4
[M+Na]+ 383.103598 193.0
[M-H]- 359.107104 191.7
[M+NH4]+ 378.148203 196.3
[M+K]+ 399.077538 188.9
[M+H-H2O]+ 343.111640 174.8
[M+HCOO]- 405.112581 199.2
[M+CH3COO]- 419.128231 213.9
[M+Na-2H]- 381.089046 180.5
[M]+ 360.11383142 190.0
[M]- 360.11492858 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.