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]+ 298.216536 175.0
[M+Na]+ 320.198478 179.1
[M-H]- 296.201984 181.8
[M+NH4]+ 315.243083 190.3
[M+K]+ 336.172418 175.6
[M+H-H2O]+ 280.206520 165.8
[M+HCOO]- 342.207461 199.0
[M+CH3COO]- 356.223111 211.4
[M+Na-2H]- 318.183926 178.5
[M]+ 297.20871142 178.4
[M]- 297.20980858 178.4
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.