CID 16102548

1-[1-[methoxy(phenyl)methyl]-2,3-diphenyl-indolizin-7-yl]pentan-1-one

Structural Information

Molecular Formula
C33H31NO2
SMILES
CCCCC(=O)C1=CC2=C(C(=C(N2C=C1)C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)OC
InChI
InChI=1S/C33H31NO2/c1-3-4-20-29(35)27-21-22-34-28(23-27)31(33(36-2)26-18-12-7-13-19-26)30(24-14-8-5-9-15-24)32(34)25-16-10-6-11-17-25/h5-19,21-23,33H,3-4,20H2,1-2H3
InChIKey
AXWWBFKBRFMNBC-UHFFFAOYSA-N
Compound name
1-[1-[methoxy(phenyl)methyl]-2,3-diphenylindolizin-7-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

473.23547 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.24275 222.6
[M+Na]+ 496.22469 227.9
[M-H]- 472.22819 234.2
[M+NH4]+ 491.26929 230.5
[M+K]+ 512.19863 220.0
[M+H-H2O]+ 456.23273 210.0
[M+HCOO]- 518.23367 241.2
[M+CH3COO]- 532.24932 230.1
[M+Na-2H]- 494.21014 220.4
[M]+ 473.23492 225.7
[M]- 473.23602 225.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.