CID 54522

Amk 225

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCOCC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-22-15-16-9-5-6-10-17(16)19-18(21)23-14-13-20-11-7-3-4-8-12-20/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,19,21)
InChIKey
JKPNQWPSKVKVRN-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 177.8
[M+Na]+ 343.19922 185.2
[M+NH4]+ 338.24382 183.2
[M+K]+ 359.17316 180.2
[M-H]- 319.20272 180.0
[M+Na-2H]- 341.18467 182.5
[M]+ 320.20945 179.2
[M]- 320.21055 179.2
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.