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]+ 329.12848 177.8
[M+Na]+ 351.11042 187.4
[M-H]- 327.11392 186.6
[M+NH4]+ 346.15502 191.3
[M+K]+ 367.08436 181.2
[M+H-H2O]+ 311.11846 167.3
[M+HCOO]- 373.11940 199.7
[M+CH3COO]- 387.13505 189.3
[M+Na-2H]- 349.09587 182.1
[M]+ 328.12065 180.9
[M]- 328.12175 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.