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]+ 267.152576 163.8
[M+Na]+ 289.134518 167.5
[M-H]- 265.138024 167.7
[M+NH4]+ 284.179123 180.6
[M+K]+ 305.108458 164.8
[M+H-H2O]+ 249.142560 155.8
[M+HCOO]- 311.143501 183.1
[M+CH3COO]- 325.159151 204.6
[M+Na-2H]- 287.119966 165.0
[M]+ 266.14475142 167.3
[M]- 266.14584858 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.