CID 38629

(3-propoxyphenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCOC1=CC=CC(=C1)NC(=O)OC(C)CN2CCCCC2
InChI
InChI=1S/C18H28N2O3/c1-3-12-22-17-9-7-8-16(13-17)19-18(21)23-15(2)14-20-10-5-4-6-11-20/h7-9,13,15H,3-6,10-12,14H2,1-2H3,(H,19,21)
InChIKey
RDJMQSCTGRBFIZ-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.2
[M+Na]+ 343.19922 180.5
[M-H]- 319.20272 182.5
[M+NH4]+ 338.24382 191.0
[M+K]+ 359.17316 178.3
[M+H-H2O]+ 303.20726 169.6
[M+HCOO]- 365.20820 196.4
[M+CH3COO]- 379.22385 209.4
[M+Na-2H]- 341.18467 179.5
[M]+ 320.20945 177.6
[M]- 320.21055 177.6
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.