CID 3025455

2-((2-methoxyphenoxy)methyl)-3-(2-((3,4,5-trimethoxybenzoyl)thio)acetyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C23H27NO7S2
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)CSC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H27NO7S2/c1-27-16-7-5-6-8-17(16)31-13-21-24(9-10-32-21)20(25)14-33-23(26)15-11-18(28-2)22(30-4)19(12-15)29-3/h5-8,11-12,21H,9-10,13-14H2,1-4H3
InChIKey
KGOKWPVTSICMLU-UHFFFAOYSA-N
Compound name
S-[2-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] 3,4,5-trimethoxybenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.1229 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.13018 214.0
[M+Na]+ 516.11212 218.6
[M-H]- 492.11562 221.6
[M+NH4]+ 511.15672 222.0
[M+K]+ 532.08606 215.3
[M+H-H2O]+ 476.12016 205.6
[M+HCOO]- 538.12110 222.8
[M+CH3COO]- 552.13675 234.2
[M+Na-2H]- 514.09757 208.2
[M]+ 493.12235 224.3
[M]- 493.12345 224.3
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.