CID 16102550

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

Structural Information

Molecular Formula
C32H29NO2
SMILES
CCCCC(=O)C1=CC2=C(C(=C(N2C=C1)C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)O
InChI
InChI=1S/C32H29NO2/c1-2-3-19-28(34)26-20-21-33-27(22-26)30(32(35)25-17-11-6-12-18-25)29(23-13-7-4-8-14-23)31(33)24-15-9-5-10-16-24/h4-18,20-22,32,35H,2-3,19H2,1H3
InChIKey
QEPRAPALNJSJNV-UHFFFAOYSA-N
Compound name
1-[1-[hydroxy(phenyl)methyl]-2,3-diphenylindolizin-7-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.21982 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.22710 217.2
[M+Na]+ 482.20904 222.6
[M-H]- 458.21254 227.8
[M+NH4]+ 477.25364 225.0
[M+K]+ 498.18298 214.2
[M+H-H2O]+ 442.21708 205.4
[M+HCOO]- 504.21802 234.8
[M+CH3COO]- 518.23367 224.7
[M+Na-2H]- 480.19449 215.4
[M]+ 459.21927 218.4
[M]- 459.22037 218.4
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.