CID 45051061

853317-42-7

Structural Information

Molecular Formula
C34H30N2O5
SMILES
CC(C)OC(=O)C1=C2C=CC=C(N2C(=C1C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=N5
InChI
InChI=1S/C34H30N2O5/c1-21(2)40-33(38)29-28-15-10-14-27(26-13-8-9-20-35-26)36(28)31(30(29)34(39)41-22(3)4)32(37)25-18-16-24(17-19-25)23-11-6-5-7-12-23/h5-22H,1-4H3
InChIKey
AQVADNMGBPGXTM-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-(4-phenylbenzoyl)-5-pyridin-2-ylindolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.21545 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.22273 231.4
[M+Na]+ 569.20467 246.8
[M+NH4]+ 564.24927 235.9
[M+K]+ 585.17861 241.5
[M-H]- 545.20817 237.7
[M+Na-2H]- 567.19012 240.3
[M]+ 546.21490 235.4
[M]- 546.21600 235.4
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.