CID 3054346

Brn 2743139

Structural Information

Molecular Formula
C20H27NO
SMILES
CCN(CC)CC(CC1=CC=CC=C1)(CC2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO/c1-3-21(4-2)17-20(22,15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3
InChIKey
UXFYBRSMEPQXSG-UHFFFAOYSA-N
Compound name
2-benzyl-1-(diethylamino)-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 174.8
[M+Na]+ 320.198478 178.0
[M-H]- 296.201984 180.3
[M+NH4]+ 315.243083 189.2
[M+K]+ 336.172418 174.1
[M+H-H2O]+ 280.206520 166.5
[M+HCOO]- 342.207461 195.8
[M+CH3COO]- 356.223111 208.1
[M+Na-2H]- 318.183926 179.5
[M]+ 297.20871142 175.6
[M]- 297.20980858 175.6
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.