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 197.5
[M+Na]+ 438.10604 203.5
[M-H]- 414.10954 206.2
[M+NH4]+ 433.15064 205.7
[M+K]+ 454.07998 194.7
[M+H-H2O]+ 398.11408 190.7
[M+HCOO]- 460.11502 218.5
[M+CH3COO]- 474.13067 219.0
[M+Na-2H]- 436.09149 201.4
[M]+ 415.11627 199.8
[M]- 415.11737 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.