CID 3025459

N-(2-(2-((2-methoxyphenyl)methyl)-3-thiazolidinyl)-2-oxoethyl)acetamide

Structural Information

Molecular Formula
C15H20N2O3S
SMILES
CC(=O)NCC(=O)N1CCSC1CC2=CC=CC=C2OC
InChI
InChI=1S/C15H20N2O3S/c1-11(18)16-10-14(19)17-7-8-21-15(17)9-12-5-3-4-6-13(12)20-2/h3-6,15H,7-10H2,1-2H3,(H,16,18)
InChIKey
KALGKCYHCIMWJP-UHFFFAOYSA-N
Compound name
N-[2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.11948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.126756 172.6
[M+Na]+ 331.108698 177.6
[M-H]- 307.112204 177.6
[M+NH4]+ 326.153303 187.9
[M+K]+ 347.082638 174.6
[M+H-H2O]+ 291.116740 164.9
[M+HCOO]- 353.117681 188.1
[M+CH3COO]- 367.133331 204.0
[M+Na-2H]- 329.094146 169.9
[M]+ 308.11893142 174.4
[M]- 308.12002858 174.4
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.