CID 215577

35859-26-8

Structural Information

Molecular Formula
C14H19NO3S
SMILES
C1COCCN1CCOC(=O)CSC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3S/c16-14(12-19-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15/h1-5H,6-12H2
InChIKey
OFSOYGNGQVECTF-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 163.3
[M+Na]+ 304.09777 174.4
[M+NH4]+ 299.14237 171.1
[M+K]+ 320.07171 166.1
[M-H]- 280.10127 167.5
[M+Na-2H]- 302.08322 168.9
[M]+ 281.10800 166.4
[M]- 281.10910 166.4
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.