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 207.7
[M+Na]+ 448.18832 215.0
[M-H]- 424.19182 217.5
[M+NH4]+ 443.23292 218.7
[M+K]+ 464.16226 209.3
[M+H-H2O]+ 408.19636 197.8
[M+HCOO]- 470.19730 226.2
[M+CH3COO]- 484.21295 229.4
[M+Na-2H]- 446.17377 207.5
[M]+ 425.19855 212.6
[M]- 425.19965 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.