CID 212610

24591-43-3

Structural Information

Molecular Formula
C19H25NO2
SMILES
CCN(CC)CCCOC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C19H25NO2/c1-3-20(4-2)15-10-16-21-18-13-8-9-14-19(18)22-17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3
InChIKey
ZBQVNPOISMWDAX-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-phenoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.7
[M+Na]+ 322.17776 178.1
[M-H]- 298.18126 180.7
[M+NH4]+ 317.22236 188.8
[M+K]+ 338.15170 175.4
[M+H-H2O]+ 282.18580 164.4
[M+HCOO]- 344.18674 198.2
[M+CH3COO]- 358.20239 210.4
[M+Na-2H]- 320.16321 177.8
[M]+ 299.18799 178.2
[M]- 299.18909 178.2
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

patents stripe