CID 5272719

Hexyl 2-phenylindolizine-6-carboxylate

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCCCCCOC(=O)C1=CN2C=C(C=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-2-3-4-8-13-24-21(23)18-11-12-20-14-19(16-22(20)15-18)17-9-6-5-7-10-17/h5-7,9-12,14-16H,2-4,8,13H2,1H3
InChIKey
MMXBPBNWOLDIRI-UHFFFAOYSA-N
Compound name
hexyl 2-phenylindolizine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.2
[M+Na]+ 344.16210 186.7
[M-H]- 320.16560 185.3
[M+NH4]+ 339.20670 194.8
[M+K]+ 360.13604 181.3
[M+H-H2O]+ 304.17014 170.2
[M+HCOO]- 366.17108 201.4
[M+CH3COO]- 380.18673 208.4
[M+Na-2H]- 342.14755 181.9
[M]+ 321.17233 184.2
[M]- 321.17343 184.2
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.