CID 16072892

Chembl211766

Structural Information

Molecular Formula
C21H21NO2
SMILES
C1CCC(CC1)C2=C3C=CC(=CN3C=C2C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C21H21NO2/c23-21(24)17-11-12-19-20(16-9-5-2-6-10-16)18(14-22(19)13-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,24)
InChIKey
QTRMFVAMRMWLMN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-phenylindolizine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.15723 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 175.6
[M+Na]+ 342.14645 181.7
[M-H]- 318.14995 183.3
[M+NH4]+ 337.19105 190.0
[M+K]+ 358.12039 175.5
[M+H-H2O]+ 302.15449 166.5
[M+HCOO]- 364.15543 193.3
[M+CH3COO]- 378.17108 185.7
[M+Na-2H]- 340.13190 176.6
[M]+ 319.15668 172.4
[M]- 319.15778 172.4
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.