CID 215573

35859-20-2

Structural Information

Molecular Formula
C14H21NO2S
SMILES
CCN(CC)CCOC(=O)CSC1=CC=CC=C1
InChI
InChI=1S/C14H21NO2S/c1-3-15(4-2)10-11-17-14(16)12-18-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey
NOEVBSWCHKBTHN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.136576 163.6
[M+Na]+ 290.118518 168.2
[M-H]- 266.122024 167.8
[M+NH4]+ 285.163123 180.8
[M+K]+ 306.092458 166.2
[M+H-H2O]+ 250.126560 156.0
[M+HCOO]- 312.127501 182.3
[M+CH3COO]- 326.143151 201.7
[M+Na-2H]- 288.103966 164.5
[M]+ 267.12875142 169.4
[M]- 267.12984858 169.4
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.