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]+ 272.16451 164.4
[M+Na]+ 294.14645 169.7
[M-H]- 270.14995 171.8
[M+NH4]+ 289.19105 180.7
[M+K]+ 310.12039 167.5
[M+H-H2O]+ 254.15449 155.6
[M+HCOO]- 316.15543 189.7
[M+CH3COO]- 330.17108 204.5
[M+Na-2H]- 292.13190 169.6
[M]+ 271.15668 168.2
[M]- 271.15778 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.