CID 3074737

2-(2-(methoxyphenoxy)methyl)-3-(2-(acetylthio)propionyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C16H21NO4S2
SMILES
CC(C(=O)N1CCS[C@H]1COC2=CC=CC=C2OC)OC(=S)C
InChI
InChI=1S/C16H21NO4S2/c1-11(21-12(2)22)16(18)17-8-9-23-15(17)10-20-14-7-5-4-6-13(14)19-3/h4-7,11,15H,8-10H2,1-3H3/t11?,15-/m0/s1
InChIKey
KHDBUOXFJZXSCG-MHTVFEQDSA-N
Compound name
O-[1-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0912 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09848 179.9
[M+Na]+ 378.08042 187.7
[M+NH4]+ 373.12502 186.2
[M+K]+ 394.05436 181.5
[M-H]- 354.08392 181.0
[M+Na-2H]- 376.06587 182.2
[M]+ 355.09065 181.9
[M]- 355.09175 181.9
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.