CID 24212681

853317-40-5

Structural Information

Molecular Formula
C23H17N3O5
SMILES
CCOC(=O)C1=C2C=CC=C(N2C(=C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=N4
InChI
InChI=1S/C23H17N3O5/c1-2-31-23(28)17-14-21(22(27)15-7-5-8-16(13-15)26(29)30)25-19(17)10-6-11-20(25)18-9-3-4-12-24-18/h3-14H,2H2,1H3
InChIKey
PCCHRSGCQISAIN-UHFFFAOYSA-N
Compound name
ethyl 3-(3-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11682 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12410 194.5
[M+Na]+ 438.10604 210.3
[M+NH4]+ 433.15064 200.2
[M+K]+ 454.07998 207.7
[M-H]- 414.10954 200.3
[M+Na-2H]- 436.09149 203.1
[M]+ 415.11627 198.2
[M]- 415.11737 198.2
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.