CID 68883

Pipradimadol

Structural Information

Molecular Formula
C24H37ClN2O2
SMILES
CC(C)(C(=O)N(C)C1CCCCC1)C2(CCN(CC2)CCC3=CC=CC=C3Cl)O
InChI
InChI=1S/C24H37ClN2O2/c1-23(2,22(28)26(3)20-10-5-4-6-11-20)24(29)14-17-27(18-15-24)16-13-19-9-7-8-12-21(19)25/h7-9,12,20,29H,4-6,10-11,13-18H2,1-3H3
InChIKey
CNIMNQJXZKALLC-UHFFFAOYSA-N
Compound name
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

35
Patents

420.25436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.261636 204.4
[M+Na]+ 443.243578 204.5
[M-H]- 419.247084 209.8
[M+NH4]+ 438.288183 214.7
[M+K]+ 459.217518 199.8
[M+H-H2O]+ 403.251620 195.2
[M+HCOO]- 465.252561 210.2
[M+CH3COO]- 479.268211 227.6
[M+Na-2H]- 441.229026 202.2
[M]+ 420.25381142 199.4
[M]- 420.25490858 199.4
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