CID 50073

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

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN(C)C
InChI
InChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-14-23-18-12-10-11-17(16-18)20-19(22)24-15-13-21(2)3/h10-12,16H,4-9,13-15H2,1-3H3,(H,20,22)
InChIKey
AETLBMIVNXCVBC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 185.8
[M+Na]+ 359.23052 194.0
[M+NH4]+ 354.27512 191.4
[M+K]+ 375.20446 187.3
[M-H]- 335.23402 187.6
[M+Na-2H]- 357.21597 189.4
[M]+ 336.24075 187.1
[M]- 336.24185 187.1
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.