CID 54126573

Schembl10592227

Structural Information

Molecular Formula
C17H21NO
SMILES
CCN(CC)C1=CC=CC(=C1)COC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-3-18(4-2)16-10-8-9-15(13-16)14-19-17-11-6-5-7-12-17/h5-13H,3-4,14H2,1-2H3
InChIKey
NRJLSCXDEWCXHU-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(phenoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.16231 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.169586 161.0
[M+Na]+ 278.151528 166.5
[M-H]- 254.155034 168.5
[M+NH4]+ 273.196133 178.1
[M+K]+ 294.125468 163.7
[M+H-H2O]+ 238.159570 152.5
[M+HCOO]- 300.160511 186.1
[M+CH3COO]- 314.176161 202.5
[M+Na-2H]- 276.136976 166.3
[M]+ 255.16176142 163.4
[M]- 255.16285858 163.4
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.