CID 9805944

N-desmethyl loperamide

Structural Information

Molecular Formula
C28H31ClN2O2
SMILES
CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
InChIKey
ZMOPTLXEYOVARP-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

30
Patents

462.2074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21468 214.1
[M+Na]+ 485.19662 216.5
[M-H]- 461.20012 222.0
[M+NH4]+ 480.24122 221.4
[M+K]+ 501.17056 208.7
[M+H-H2O]+ 445.20466 202.6
[M+HCOO]- 507.20560 223.4
[M+CH3COO]- 521.22125 219.8
[M+Na-2H]- 483.18207 215.7
[M]+ 462.20685 210.7
[M]- 462.20795 210.7
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.