CID 58692

2-(2-(diethylamino)ethyl)thioacetanilide hydrochloride

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CCN(CC)CCSCC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C14H22N2OS/c1-3-16(4-2)10-11-18-12-14(17)15-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17)
InChIKey
VTIYROOWZROIIT-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 163.8
[M+Na]+ 289.13452 167.5
[M-H]- 265.13802 167.7
[M+NH4]+ 284.17912 180.6
[M+K]+ 305.10846 164.8
[M+H-H2O]+ 249.14256 155.8
[M+HCOO]- 311.14350 183.1
[M+CH3COO]- 325.15915 204.6
[M+Na-2H]- 287.11997 165.0
[M]+ 266.14475 167.3
[M]- 266.14585 167.3
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.