CID 54530

Amk 325

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCOCC1=CC(=CC=C1)NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-22-15-16-8-7-9-17(14-16)19-18(21)23-13-12-20-10-5-3-4-6-11-20/h7-9,14H,2-6,10-13,15H2,1H3,(H,19,21)
InChIKey
CUIDFQCCKDVUDY-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-[3-(ethoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 175.5
[M+Na]+ 343.199218 175.8
[M-H]- 319.202724 180.0
[M+NH4]+ 338.243823 186.6
[M+K]+ 359.173158 178.2
[M+H-H2O]+ 303.207260 166.4
[M+HCOO]- 365.208201 193.2
[M+CH3COO]- 379.223851 208.7
[M+Na-2H]- 341.184666 176.8
[M]+ 320.20945142 171.6
[M]- 320.21054858 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.