CID 491857

Chembl1916434

Structural Information

Molecular Formula
C22H16N2
SMILES
CC1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C22H16N2/c1-16-20-14-17(15-23)12-13-24(20)22(19-10-6-3-7-11-19)21(16)18-8-4-2-5-9-18/h2-14H,1H3
InChIKey
NTUFOQUTKOKRLQ-UHFFFAOYSA-N
Compound name
1-methyl-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.13135 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13863 181.5
[M+Na]+ 331.12057 194.6
[M-H]- 307.12407 188.7
[M+NH4]+ 326.16517 195.6
[M+K]+ 347.09451 183.3
[M+H-H2O]+ 291.12861 165.5
[M+HCOO]- 353.12955 200.7
[M+CH3COO]- 367.14520 191.6
[M+Na-2H]- 329.10602 184.1
[M]+ 308.13080 177.6
[M]- 308.13190 177.6
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.