CID 491920

Chembl1916444

Structural Information

Molecular Formula
C28H18N2O
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2C(=O)C4=CC=CC=C4)C#N)C5=CC=CC=C5
InChI
InChI=1S/C28H18N2O/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/h1-18H
InChIKey
QRRQSTIPCGOUSQ-UHFFFAOYSA-N
Compound name
1-benzoyl-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.1419 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14918 209.2
[M+Na]+ 421.13112 220.6
[M-H]- 397.13462 217.8
[M+NH4]+ 416.17572 218.6
[M+K]+ 437.10506 207.5
[M+H-H2O]+ 381.13916 191.3
[M+HCOO]- 443.14010 226.3
[M+CH3COO]- 457.15575 216.7
[M+Na-2H]- 419.11657 209.0
[M]+ 398.14135 204.1
[M]- 398.14245 204.1
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.