CID 50055

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

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCCN(C)C
InChI
InChI=1S/C16H26N2O3/c1-4-5-8-12-20-15-10-7-6-9-14(15)17-16(19)21-13-11-18(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,17,19)
InChIKey
KHKCIIGXUFZXEM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 172.5
[M+Na]+ 317.18356 181.3
[M+NH4]+ 312.22816 178.6
[M+K]+ 333.15750 175.3
[M-H]- 293.18706 174.4
[M+Na-2H]- 315.16901 176.9
[M]+ 294.19379 174.0
[M]- 294.19489 174.0
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.