CID 298402

Propiophenone, 3,4'-bis(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)-

Structural Information

Molecular Formula
C31H32N2O
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)N4CCC(=CC4)C5=CC=CC=C5
InChI
InChI=1S/C31H32N2O/c34-31(19-22-32-20-15-27(16-21-32)25-7-3-1-4-8-25)29-11-13-30(14-12-29)33-23-17-28(18-24-33)26-9-5-2-6-10-26/h1-15,17H,16,18-24H2
InChIKey
SZVGEJRMDSCRFY-UHFFFAOYSA-N
Compound name
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.25146 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25874 214.7
[M+Na]+ 471.24068 215.5
[M-H]- 447.24418 224.3
[M+NH4]+ 466.28528 218.1
[M+K]+ 487.21462 206.8
[M+H-H2O]+ 431.24872 199.3
[M+HCOO]- 493.24966 227.0
[M+CH3COO]- 507.26531 219.5
[M+Na-2H]- 469.22613 213.0
[M]+ 448.25091 206.9
[M]- 448.25201 206.9
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.