CID 54520

Amk 215

Structural Information

Molecular Formula
C17H26N2O3
SMILES
COCC1=CC=CC=C1NC(=O)OCCN2CCCCCC2
InChI
InChI=1S/C17H26N2O3/c1-21-14-15-8-4-5-9-16(15)18-17(20)22-13-12-19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,18,20)
InChIKey
HPQTYRHATRKMKQ-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl N-[2-(methoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 171.2
[M+Na]+ 329.18356 172.0
[M-H]- 305.18706 175.9
[M+NH4]+ 324.22816 182.9
[M+K]+ 345.15750 174.5
[M+H-H2O]+ 289.19160 162.3
[M+HCOO]- 351.19254 189.2
[M+CH3COO]- 365.20819 205.9
[M+Na-2H]- 327.16901 173.0
[M]+ 306.19379 167.0
[M]- 306.19489 167.0
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.