CID 40296

N-ethyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochloride

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C21H34N2O3/c1-3-5-9-16-25-20-12-10-11-19(18-20)23(4-2)21(24)26-17-15-22-13-7-6-8-14-22/h10-12,18H,3-9,13-17H2,1-2H3
InChIKey
YXMIQPRDYZOHNJ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-ethyl-N-(3-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.5
[M+Na]+ 385.24618 192.9
[M-H]- 361.24968 196.6
[M+NH4]+ 380.29078 203.3
[M+K]+ 401.22012 190.8
[M+H-H2O]+ 345.25422 181.9
[M+HCOO]- 407.25516 210.1
[M+CH3COO]- 421.27081 220.8
[M+Na-2H]- 383.23163 191.7
[M]+ 362.25641 193.9
[M]- 362.25751 193.9
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.