CID 24209027

853334-05-1

Structural Information

Molecular Formula
C21H16N2O2
SMILES
COC(=O)C1=C2C=CC=C(N2C=C1C3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C21H16N2O2/c1-25-21(24)20-16(15-8-3-2-4-9-15)14-23-18(11-7-12-19(20)23)17-10-5-6-13-22-17/h2-14H,1H3
InChIKey
UMAHPZBYZIBOHU-UHFFFAOYSA-N
Compound name
methyl 2-phenyl-5-pyridin-2-ylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.128476 177.8
[M+Na]+ 351.110418 187.4
[M-H]- 327.113924 186.6
[M+NH4]+ 346.155023 191.3
[M+K]+ 367.084358 181.2
[M+H-H2O]+ 311.118460 167.3
[M+HCOO]- 373.119401 199.7
[M+CH3COO]- 387.135051 189.3
[M+Na-2H]- 349.095866 182.1
[M]+ 328.12065142 180.9
[M]- 328.12174858 180.9
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.