CID 24212898

853334-28-8

Structural Information

Molecular Formula
C28H26N2O5
SMILES
CC(C)OC(=O)C1=C2C=C(C=CN2C(=C1C(=O)OC(C)C)C(=O)C3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C28H26N2O5/c1-17(2)34-27(32)23-22-16-21(19-10-13-29-14-11-19)12-15-30(22)25(24(23)28(33)35-18(3)4)26(31)20-8-6-5-7-9-20/h5-18H,1-4H3
InChIKey
UNNBPPYDSAMNPL-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-benzoyl-7-pyridin-4-ylindolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18417 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19145 213.7
[M+Na]+ 493.17339 219.1
[M-H]- 469.17689 222.0
[M+NH4]+ 488.21799 220.6
[M+K]+ 509.14733 215.5
[M+H-H2O]+ 453.18143 202.7
[M+HCOO]- 515.18237 229.9
[M+CH3COO]- 529.19802 237.7
[M+Na-2H]- 491.15884 209.9
[M]+ 470.18362 219.8
[M]- 470.18472 219.8
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.