CID 71934

Fenalcomine

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCC(C1=CC=C(C=C1)OCCNC(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,20-22H,3,13-15H2,1-2H3
InChIKey
DOBLSWXRNYSVDC-UHFFFAOYSA-N
Compound name
1-[4-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2366
Patents

313.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.6
[M+Na]+ 336.19342 181.4
[M-H]- 312.19692 182.7
[M+NH4]+ 331.23802 191.6
[M+K]+ 352.16736 177.3
[M+H-H2O]+ 296.20146 169.9
[M+HCOO]- 358.20240 198.8
[M+CH3COO]- 372.21805 209.2
[M+Na-2H]- 334.17887 180.1
[M]+ 313.20365 179.1
[M]- 313.20475 179.1
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.