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]+ 426.20638 205.4
[M+Na]+ 448.18832 221.0
[M+NH4]+ 443.23292 212.4
[M+K]+ 464.16226 214.5
[M-H]- 424.19182 210.9
[M+Na-2H]- 446.17377 214.4
[M]+ 425.19855 209.5
[M]- 425.19965 209.5
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.