CID 26558

(o-(benzylthio)phenyl)acetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H23NO2S
SMILES
CN(C)CCOC(=O)CC1=CC=CC=C1SCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO2S/c1-20(2)12-13-22-19(21)14-17-10-6-7-11-18(17)23-15-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKey
XYUPIDKORPJXIT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-benzylsulfanylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14496 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15224 178.0
[M+Na]+ 352.13418 190.4
[M+NH4]+ 347.17878 186.3
[M+K]+ 368.10812 180.3
[M-H]- 328.13768 183.2
[M+Na-2H]- 350.11963 186.2
[M]+ 329.14441 181.8
[M]- 329.14551 181.8
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.