CID 491917

Chembl1916445

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2CO)C#N)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O/c23-14-16-11-12-24-20(13-16)19(15-25)21(17-7-3-1-4-8-17)22(24)18-9-5-2-6-10-18/h1-13,25H,15H2
InChIKey
CTJIANKNANXEMK-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 185.0
[M+Na]+ 347.11547 197.4
[M-H]- 323.11897 191.0
[M+NH4]+ 342.16007 197.8
[M+K]+ 363.08941 186.3
[M+H-H2O]+ 307.12351 169.2
[M+HCOO]- 369.12445 203.0
[M+CH3COO]- 383.14010 194.3
[M+Na-2H]- 345.10092 187.3
[M]+ 324.12570 180.7
[M]- 324.12680 180.7
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.