CID 3955

Loperamide

Structural Information

Molecular Formula
C29H33ClN2O2
SMILES
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChIKey
RDOIQAHITMMDAJ-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1948
References

91322
Patents

476.22305 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23033 217.8
[M+Na]+ 499.21227 219.8
[M-H]- 475.21577 226.9
[M+NH4]+ 494.25687 225.1
[M+K]+ 515.18621 213.3
[M+H-H2O]+ 459.22031 205.9
[M+HCOO]- 521.22125 227.2
[M+CH3COO]- 535.23690 236.9
[M+Na-2H]- 497.19772 218.2
[M]+ 476.22250 216.0
[M]- 476.22360 216.0
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.