CID 215593

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

Structural Information

Molecular Formula
C14H18ClNO3S
SMILES
C1COCCN1CCOC(=O)CSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNO3S/c15-12-1-3-13(4-2-12)20-11-14(17)19-10-7-16-5-8-18-9-6-16/h1-4H,5-11H2
InChIKey
PDDZNWPHRHCMJG-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(4-chlorophenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06958 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07686 168.9
[M+Na]+ 338.05880 174.2
[M-H]- 314.06230 173.8
[M+NH4]+ 333.10340 181.8
[M+K]+ 354.03274 170.9
[M+H-H2O]+ 298.06684 161.5
[M+HCOO]- 360.06778 177.2
[M+CH3COO]- 374.08343 199.7
[M+Na-2H]- 336.04425 169.8
[M]+ 315.06903 172.2
[M]- 315.07013 172.2
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

No patent data available for this compound.