CID 16102549

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

Structural Information

Molecular Formula
C29H23NO2
SMILES
CC(=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/C29H23NO2/c1-20(31)24-17-18-30-25(19-24)27(29(32)23-15-9-4-10-16-23)26(21-11-5-2-6-12-21)28(30)22-13-7-3-8-14-22/h2-19,29,32H,1H3
InChIKey
VZPLXWIACMOGKZ-UHFFFAOYSA-N
Compound name
1-[1-[hydroxy(phenyl)methyl]-2,3-diphenylindolizin-7-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.17288 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18016 203.9
[M+Na]+ 440.16210 210.7
[M-H]- 416.16560 215.1
[M+NH4]+ 435.20670 213.5
[M+K]+ 456.13604 202.9
[M+H-H2O]+ 400.17014 192.7
[M+HCOO]- 462.17108 222.7
[M+CH3COO]- 476.18673 212.7
[M+Na-2H]- 438.14755 203.7
[M]+ 417.17233 204.3
[M]- 417.17343 204.3
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.