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

2392
Patents

313.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 178.6
[M+Na]+ 336.193418 181.4
[M-H]- 312.196924 182.7
[M+NH4]+ 331.238023 191.6
[M+K]+ 352.167358 177.3
[M+H-H2O]+ 296.201460 169.9
[M+HCOO]- 358.202401 198.8
[M+CH3COO]- 372.218051 209.2
[M+Na-2H]- 334.178866 180.1
[M]+ 313.20365142 179.1
[M]- 313.20474858 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.