CID 491918

Chembl1916443

Structural Information

Molecular Formula
C22H14N2O
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2C=O)C#N)C4=CC=CC=C4
InChI
InChI=1S/C22H14N2O/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/h1-13,15H
InChIKey
QIMKNVBJBQAGIL-UHFFFAOYSA-N
Compound name
1-formyl-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.11063 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11791 184.7
[M+Na]+ 345.09985 197.8
[M-H]- 321.10335 191.9
[M+NH4]+ 340.14445 198.1
[M+K]+ 361.07379 186.7
[M+H-H2O]+ 305.10789 168.5
[M+HCOO]- 367.10883 204.1
[M+CH3COO]- 381.12448 194.6
[M+Na-2H]- 343.08530 187.2
[M]+ 322.11008 181.3
[M]- 322.11118 181.3
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.