CID 3025452

103181-49-3

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCOC(=O)C1CSC(N1)COC2=CC=CC=C2OC
InChI
InChI=1S/C14H19NO4S/c1-3-18-14(16)10-9-20-13(15-10)8-19-12-7-5-4-6-11(12)17-2/h4-7,10,13,15H,3,8-9H2,1-2H3
InChIKey
OKTXFBBOSXJDEZ-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 168.0
[M+Na]+ 320.09272 173.8
[M-H]- 296.09622 171.8
[M+NH4]+ 315.13732 183.5
[M+K]+ 336.06666 170.9
[M+H-H2O]+ 280.10076 160.9
[M+HCOO]- 342.10170 182.6
[M+CH3COO]- 356.11735 196.2
[M+Na-2H]- 318.07817 166.1
[M]+ 297.10295 171.2
[M]- 297.10405 171.2
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

patents stripe