CID 37287

((p-chlorophenyl)thio)acetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H20ClNO2S
SMILES
CCN(CC)CCOC(=O)CSC1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClNO2S/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKey
VDQFNJODGYLYNT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09761 168.9
[M+Na]+ 324.07955 180.0
[M+NH4]+ 319.12415 177.0
[M+K]+ 340.05349 170.8
[M-H]- 300.08305 171.4
[M+Na-2H]- 322.06500 174.0
[M]+ 301.08978 171.9
[M]- 301.09088 171.9
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.