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 181.8
[M+Na]+ 348.19342 184.5
[M-H]- 324.19692 187.2
[M+NH4]+ 343.23802 194.9
[M+K]+ 364.16736 181.0
[M+H-H2O]+ 308.20146 173.2
[M+HCOO]- 370.20240 201.8
[M+CH3COO]- 384.21805 212.5
[M+Na-2H]- 346.17887 184.8
[M]+ 325.20365 182.9
[M]- 325.20475 182.9
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

patents stripe