CID 491856

1-acetyl-2,3-diphenylindolizine-7-carbonitrile

Structural Information

Molecular Formula
C23H16N2O
SMILES
CC(=O)C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C23H16N2O/c1-16(26)21-20-14-17(15-24)12-13-25(20)23(19-10-6-3-7-11-19)22(21)18-8-4-2-5-9-18/h2-14H,1H3
InChIKey
AVHXHHYJRCNTFQ-UHFFFAOYSA-N
Compound name
1-acetyl-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.12625 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13353 189.7
[M+Na]+ 359.11547 202.0
[M-H]- 335.11897 196.8
[M+NH4]+ 354.16007 202.4
[M+K]+ 375.08941 191.2
[M+H-H2O]+ 319.12351 173.5
[M+HCOO]- 381.12445 207.9
[M+CH3COO]- 395.14010 199.0
[M+Na-2H]- 357.10092 190.6
[M]+ 336.12570 186.1
[M]- 336.12680 186.1
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.