CID 24208974

Diethyl 7-benzoyl-1,3-indolizinedicarboxylate

Structural Information

Molecular Formula
C21H19NO5
SMILES
CCOC(=O)C1=CC(=C2N1C=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)OCC
InChI
InChI=1S/C21H19NO5/c1-3-26-20(24)16-13-18(21(25)27-4-2)22-11-10-15(12-17(16)22)19(23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKey
VREHPULZYFCROP-UHFFFAOYSA-N
Compound name
diethyl 7-benzoylindolizine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1263 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13358 185.4
[M+Na]+ 388.11552 193.2
[M-H]- 364.11902 192.3
[M+NH4]+ 383.16012 199.0
[M+K]+ 404.08946 190.0
[M+H-H2O]+ 348.12356 176.8
[M+HCOO]- 410.12450 206.5
[M+CH3COO]- 424.14015 215.5
[M+Na-2H]- 386.10097 185.7
[M]+ 365.12575 192.5
[M]- 365.12685 192.5
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.