CID 482634

Chembl1916417

Structural Information

Molecular Formula
C21H14N2
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C#N)C4=CC=CC=C4
InChI
InChI=1S/C21H14N2/c22-15-16-11-12-23-19(13-16)14-20(17-7-3-1-4-8-17)21(23)18-9-5-2-6-10-18/h1-14H
InChIKey
SRBISUSPVKNWPW-UHFFFAOYSA-N
Compound name
2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.1157 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12298 177.2
[M+Na]+ 317.10492 189.9
[M-H]- 293.10842 184.1
[M+NH4]+ 312.14952 191.5
[M+K]+ 333.07886 178.7
[M+H-H2O]+ 277.11296 161.1
[M+HCOO]- 339.11390 196.7
[M+CH3COO]- 353.12955 187.4
[M+Na-2H]- 315.09037 180.9
[M]+ 294.11515 172.6
[M]- 294.11625 172.6
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.