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

35
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

literature stripe

Patent stripe

patents stripe