CID 15234083

Dehydro loperamide

Structural Information

Molecular Formula
C29H31ClN2O
SMILES
CN(C)C(=O)C(CCN1CCC(=CC1)C2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H31ClN2O/c1-31(2)28(33)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)19-22-32-20-17-24(18-21-32)23-13-15-27(30)16-14-23/h3-17H,18-22H2,1-2H3
InChIKey
UUHAGHSPKICYQY-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

458.2125 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.21978 217.0
[M+Na]+ 481.20172 232.9
[M+NH4]+ 476.24632 225.2
[M+K]+ 497.17566 222.2
[M-H]- 457.20522 226.1
[M+Na-2H]- 479.18717 229.1
[M]+ 458.21195 222.5
[M]- 458.21305 222.5
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

patents stripe