CID 3025458

3-((2-ethoxyethoxy)acetyl)-2-((2-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C17H25NO5S
SMILES
CCOCCOCC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C17H25NO5S/c1-3-21-9-10-22-12-16(19)18-8-11-24-17(18)13-23-15-7-5-4-6-14(15)20-2/h4-7,17H,3,8-13H2,1-2H3
InChIKey
HISDPQUWKOTQND-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.14536 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15264 183.8
[M+Na]+ 378.13458 188.4
[M-H]- 354.13808 188.3
[M+NH4]+ 373.17918 197.4
[M+K]+ 394.10852 186.3
[M+H-H2O]+ 338.14262 175.6
[M+HCOO]- 400.14356 199.0
[M+CH3COO]- 414.15921 209.5
[M+Na-2H]- 376.12003 181.0
[M]+ 355.14481 191.2
[M]- 355.14591 191.2
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

patents stripe