CID 206408

Brn 0541006

Structural Information

Molecular Formula
C15H22N2O3
SMILES
C1CN(CCOC1)CCNC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C15H22N2O3/c18-15(13-20-14-5-2-1-3-6-14)16-7-9-17-8-4-11-19-12-10-17/h1-3,5-6H,4,7-13H2,(H,16,18)
InChIKey
YTZNEHGBLNQONS-UHFFFAOYSA-N
Compound name
N-[2-(1,4-oxazepan-4-yl)ethyl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 162.6
[M+Na]+ 301.15228 163.4
[M-H]- 277.15578 167.9
[M+NH4]+ 296.19688 173.8
[M+K]+ 317.12622 166.9
[M+H-H2O]+ 261.16032 153.8
[M+HCOO]- 323.16126 180.4
[M+CH3COO]- 337.17691 199.8
[M+Na-2H]- 299.13773 166.8
[M]+ 278.16251 158.0
[M]- 278.16361 158.0
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.