CID 3033563

O-(2-(diethylamino)ethyl)thiocarbanilate hydrochloride

Structural Information

Molecular Formula
C13H20N2OS
SMILES
CCN(CC)CCOC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C13H20N2OS/c1-3-15(4-2)10-11-16-13(17)14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,17)
InChIKey
KLPQLZXQFXHFOH-UHFFFAOYSA-N
Compound name
O-[2-(diethylamino)ethyl] N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 159.3
[M+Na]+ 275.11886 168.7
[M+NH4]+ 270.16346 167.4
[M+K]+ 291.09280 160.2
[M-H]- 251.12236 162.5
[M+Na-2H]- 273.10431 165.0
[M]+ 252.12909 161.8
[M]- 252.13019 161.8
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.