CID 202462

Propylamine, n,n-diethyl-3-(2-benzylphenoxy)-, hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CCN(CC)CCCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C20H27NO/c1-3-21(4-2)15-10-16-22-20-14-9-8-13-19(20)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3
InChIKey
QRCOLSSPXTYWKA-UHFFFAOYSA-N
Compound name
3-(2-benzylphenoxy)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.4
[M+Na]+ 320.19848 189.0
[M+NH4]+ 315.24308 184.2
[M+K]+ 336.17242 179.3
[M-H]- 296.20198 181.4
[M+Na-2H]- 318.18393 184.8
[M]+ 297.20871 179.2
[M]- 297.20981 179.2
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.