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 175.5
[M+Na]+ 343.19922 175.8
[M-H]- 319.20272 180.0
[M+NH4]+ 338.24382 186.6
[M+K]+ 359.17316 178.2
[M+H-H2O]+ 303.20726 166.4
[M+HCOO]- 365.20820 193.2
[M+CH3COO]- 379.22385 208.7
[M+Na-2H]- 341.18467 176.8
[M]+ 320.20945 171.6
[M]- 320.21055 171.6
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.