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]+ 294.14885 169.7
[M+Na]+ 316.13079 178.2
[M-H]- 292.13429 176.3
[M+NH4]+ 311.17539 186.6
[M+K]+ 332.10473 173.3
[M+H-H2O]+ 276.13883 161.2
[M+HCOO]- 338.13977 192.7
[M+CH3COO]- 352.15542 202.5
[M+Na-2H]- 314.11624 173.7
[M]+ 293.14102 174.1
[M]- 293.14212 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.