CID 40286

Carbamic acid, ethyl(3-propoxyphenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCOC1=CC=CC(=C1)N(CC)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C19H30N2O3/c1-3-14-23-18-10-8-9-17(16-18)21(4-2)19(22)24-15-13-20-11-6-5-7-12-20/h8-10,16H,3-7,11-15H2,1-2H3
InChIKey
RLWUAHKQDFMXFM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-ethyl-N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.6
[M+Na]+ 357.21487 184.9
[M-H]- 333.21837 188.1
[M+NH4]+ 352.25947 195.5
[M+K]+ 373.18881 183.3
[M+H-H2O]+ 317.22291 173.4
[M+HCOO]- 379.22385 201.9
[M+CH3COO]- 393.23950 214.9
[M+Na-2H]- 355.20032 183.8
[M]+ 334.22510 184.3
[M]- 334.22620 184.3
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.