CID 50071

O-octyloxycarbanilic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)OCCN(C)C
InChI
InChI=1S/C19H32N2O3/c1-4-5-6-7-8-11-15-23-18-13-10-9-12-17(18)20-19(22)24-16-14-21(2)3/h9-10,12-13H,4-8,11,14-16H2,1-3H3,(H,20,22)
InChIKey
DDIWHVJHDHHWCA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

336.2413 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 186.7
[M+Na]+ 359.23052 189.0
[M-H]- 335.23402 190.1
[M+NH4]+ 354.27512 200.4
[M+K]+ 375.20446 187.6
[M+H-H2O]+ 319.23856 177.7
[M+HCOO]- 381.23950 210.2
[M+CH3COO]- 395.25515 220.5
[M+Na-2H]- 357.21597 187.4
[M]+ 336.24075 193.1
[M]- 336.24185 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.