CID 212608

Dtxsid60947482

Structural Information

Molecular Formula
C17H21NO2
SMILES
CN(C)CCCOC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-18(2)13-8-14-19-16-11-6-7-12-17(16)20-15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey
ORBFGQAAYPKBHD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-phenoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.4
[M+Na]+ 294.146448 169.7
[M-H]- 270.149954 171.8
[M+NH4]+ 289.191053 180.7
[M+K]+ 310.120388 167.5
[M+H-H2O]+ 254.154490 155.6
[M+HCOO]- 316.155431 189.7
[M+CH3COO]- 330.171081 204.5
[M+Na-2H]- 292.131896 169.6
[M]+ 271.15668142 168.2
[M]- 271.15777858 168.2
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.