CID 3074756

161364-68-7

Structural Information

Molecular Formula
C18H25NO5S
SMILES
CCOC(=O)C(C)(C)C(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C18H25NO5S/c1-5-23-17(21)18(2,3)16(20)19-10-11-25-15(19)12-24-14-9-7-6-8-13(14)22-4/h6-9,15H,5,10-12H2,1-4H3
InChIKey
BBCSPZIDOSQDPM-UHFFFAOYSA-N
Compound name
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.14536 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15264 188.2
[M+Na]+ 390.13458 192.7
[M-H]- 366.13808 193.0
[M+NH4]+ 385.17918 201.4
[M+K]+ 406.10852 191.0
[M+H-H2O]+ 350.14262 180.9
[M+HCOO]- 412.14356 200.7
[M+CH3COO]- 426.15921 212.4
[M+Na-2H]- 388.12003 185.2
[M]+ 367.14481 194.2
[M]- 367.14591 194.2
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

No patent data available for this compound.