CID 50059

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

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCCCOC1=CC=C(C=C1)NC(=O)OCCN(C)C
InChI
InChI=1S/C16H26N2O3/c1-4-5-6-12-20-15-9-7-14(8-10-15)17-16(19)21-13-11-18(2)3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKey
XNHFPPISRROWBD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.0
[M+Na]+ 317.18356 176.6
[M-H]- 293.18706 177.0
[M+NH4]+ 312.22816 188.4
[M+K]+ 333.15750 175.9
[M+H-H2O]+ 277.19160 164.7
[M+HCOO]- 339.19254 197.6
[M+CH3COO]- 353.20819 211.6
[M+Na-2H]- 315.16901 175.3
[M]+ 294.19379 178.3
[M]- 294.19489 178.3
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.