CID 215589

2-(4-morpholinyl)ethyl ((4-methylphenyl)thio)acetate hydrochloride

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CC1=CC=C(C=C1)SCC(=O)OCCN2CCOCC2
InChI
InChI=1S/C15H21NO3S/c1-13-2-4-14(5-3-13)20-12-15(17)19-11-8-16-6-9-18-10-7-16/h2-5H,6-12H2,1H3
InChIKey
OPRSFFDCKIDYTK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(4-methylphenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 168.2
[M+Na]+ 318.11342 172.4
[M-H]- 294.11692 172.9
[M+NH4]+ 313.15802 181.0
[M+K]+ 334.08736 170.4
[M+H-H2O]+ 278.12146 159.8
[M+HCOO]- 340.12240 180.7
[M+CH3COO]- 354.13805 199.0
[M+Na-2H]- 316.09887 168.9
[M]+ 295.12365 169.9
[M]- 295.12475 169.9
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.