CID 45051216

Ethyl 3-((1,1'-biphenyl)-4-ylcarbonyl)-7-tert-butyl-1-indolizinecarboxylate

Structural Information

Molecular Formula
C28H27NO3
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C)(C)C
InChI
InChI=1S/C28H27NO3/c1-5-32-27(31)23-18-25(29-16-15-22(17-24(23)29)28(2,3)4)26(30)21-13-11-20(12-14-21)19-9-7-6-8-10-19/h6-18H,5H2,1-4H3
InChIKey
PECRRTNJXOUWJY-UHFFFAOYSA-N
Compound name
ethyl 7-tert-butyl-3-(4-phenylbenzoyl)indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1991 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.206376 207.7
[M+Na]+ 448.188318 215.0
[M-H]- 424.191824 217.5
[M+NH4]+ 443.232923 218.7
[M+K]+ 464.162258 209.3
[M+H-H2O]+ 408.196360 197.8
[M+HCOO]- 470.197301 226.2
[M+CH3COO]- 484.212951 229.4
[M+Na-2H]- 446.173766 207.5
[M]+ 425.19855142 212.6
[M]- 425.19964858 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.