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]+ 298.21654 174.8
[M+Na]+ 320.19848 178.0
[M-H]- 296.20198 180.3
[M+NH4]+ 315.24308 189.2
[M+K]+ 336.17242 174.1
[M+H-H2O]+ 280.20652 166.5
[M+HCOO]- 342.20746 195.8
[M+CH3COO]- 356.22311 208.1
[M+Na-2H]- 318.18393 179.5
[M]+ 297.20871 175.6
[M]- 297.20981 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.