CID 482636

Chembl1916447

Structural Information

Molecular Formula
C28H20N2O
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2C(C4=CC=CC=C4)O)C#N)C5=CC=CC=C5
InChI
InChI=1S/C28H20N2O/c29-19-20-16-17-30-24(18-20)26(28(31)23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)27(30)22-12-6-2-7-13-22/h1-18,28,31H
InChIKey
DQBDSXRCYBPWIB-UHFFFAOYSA-N
Compound name
1-[hydroxy(phenyl)methyl]-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

400.15756 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16484 208.9
[M+Na]+ 423.14678 219.7
[M-H]- 399.15028 216.3
[M+NH4]+ 418.19138 217.8
[M+K]+ 439.12072 206.5
[M+H-H2O]+ 383.15482 191.4
[M+HCOO]- 445.15576 224.6
[M+CH3COO]- 459.17141 215.9
[M+Na-2H]- 421.13223 208.6
[M]+ 400.15701 203.0
[M]- 400.15811 203.0
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.