CID 54504

Amk 234

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCOCC1=CC=CC=C1NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-13-22-15-16-8-4-5-9-17(16)19-18(21)23-14-12-20-10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,19,21)
InChIKey
XVLAVIKWQKETJQ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 178.8
[M+Na]+ 343.19922 180.4
[M-H]- 319.20272 182.0
[M+NH4]+ 338.24382 190.7
[M+K]+ 359.17316 177.6
[M+H-H2O]+ 303.20726 169.0
[M+HCOO]- 365.20820 197.0
[M+CH3COO]- 379.22385 208.6
[M+Na-2H]- 341.18467 180.3
[M]+ 320.20945 177.8
[M]- 320.21055 177.8
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.