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]+ 307.201616 171.2
[M+Na]+ 329.183558 172.0
[M-H]- 305.187064 175.9
[M+NH4]+ 324.228163 182.9
[M+K]+ 345.157498 174.5
[M+H-H2O]+ 289.191600 162.3
[M+HCOO]- 351.192541 189.2
[M+CH3COO]- 365.208191 205.9
[M+Na-2H]- 327.169006 173.0
[M]+ 306.19379142 167.0
[M]- 306.19488858 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.