CID 52638

73826-63-8

Structural Information

Molecular Formula
C34H34N2O2
SMILES
COC1=CC=C(C=C1)C(=O)C(C2C3=CC=CC=C3CCN2)C(C4C5=CC=CC=C5CCN4)C6=CC=CC=C6
InChI
InChI=1S/C34H34N2O2/c1-38-27-17-15-26(16-18-27)34(37)31(33-29-14-8-6-10-24(29)20-22-36-33)30(25-11-3-2-4-12-25)32-28-13-7-5-9-23(28)19-21-35-32/h2-18,30-33,35-36H,19-22H2,1H3
InChIKey
HPRXSBSJIAMOJZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-phenyl-2,3-bis(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.26202 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.26930 227.7
[M+Na]+ 525.25124 242.8
[M+NH4]+ 520.29584 235.2
[M+K]+ 541.22518 232.5
[M-H]- 501.25474 236.0
[M+Na-2H]- 523.23669 236.3
[M]+ 502.26147 232.3
[M]- 502.26257 232.3
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

No patent data available for this compound.