CID 15234083

4-(4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl)-n,n-dimethyl-2,2-diphenylbutanamide

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 214.8
[M+Na]+ 481.20172 217.2
[M-H]- 457.20522 225.0
[M+NH4]+ 476.24632 221.5
[M+K]+ 497.17566 209.9
[M+H-H2O]+ 441.20976 202.2
[M+HCOO]- 503.21070 226.6
[M+CH3COO]- 517.22635 237.3
[M+Na-2H]- 479.18717 215.1
[M]+ 458.21195 214.3
[M]- 458.21305 214.3
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