CID 212602

Dipropylaminoethoxydiphenyl ether hydrochloride

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCCN(CCC)CCOC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C20H27NO2/c1-3-14-21(15-4-2)16-17-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKey
NQLQJYHUFLHSJF-UHFFFAOYSA-N
Compound name
N-[2-(2-phenoxyphenoxy)ethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 178.3
[M+Na]+ 336.193418 182.2
[M-H]- 312.196924 185.1
[M+NH4]+ 331.238023 192.8
[M+K]+ 352.167358 179.4
[M+H-H2O]+ 296.201460 168.8
[M+HCOO]- 358.202401 202.5
[M+CH3COO]- 372.218051 213.4
[M+Na-2H]- 334.178866 181.8
[M]+ 313.20365142 183.1
[M]- 313.20474858 183.1
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.