CID 5272720

Butyl 2-phenylindolizine-6-carboxylate

Structural Information

Molecular Formula
C19H19NO2
SMILES
CCCCOC(=O)C1=CN2C=C(C=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-10-18-12-17(14-20(18)13-16)15-7-5-4-6-8-15/h4-10,12-14H,2-3,11H2,1H3
InChIKey
RDSKITVBAQPRIK-UHFFFAOYSA-N
Compound name
butyl 2-phenylindolizine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.148846 169.7
[M+Na]+ 316.130788 178.2
[M-H]- 292.134294 176.3
[M+NH4]+ 311.175393 186.6
[M+K]+ 332.104728 173.3
[M+H-H2O]+ 276.138830 161.2
[M+HCOO]- 338.139771 192.7
[M+CH3COO]- 352.155421 202.5
[M+Na-2H]- 314.116236 173.7
[M]+ 293.14102142 174.1
[M]- 293.14211858 174.1
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.