CID 18804

Norpropoxyphene

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC
InChI
InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3
InChIKey
IKACRWYHQXOSGM-UHFFFAOYSA-N
Compound name
[3-methyl-4-(methylamino)-1,2-diphenylbutan-2-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

16
Patents

325.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 182.2
[M+Na]+ 348.19342 193.5
[M+NH4]+ 343.23802 189.3
[M+K]+ 364.16736 186.3
[M-H]- 324.19692 186.0
[M+Na-2H]- 346.17887 190.0
[M]+ 325.20365 184.9
[M]- 325.20475 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.