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]+ 322.180156 179.2
[M+Na]+ 344.162098 186.7
[M-H]- 320.165604 185.3
[M+NH4]+ 339.206703 194.8
[M+K]+ 360.136038 181.3
[M+H-H2O]+ 304.170140 170.2
[M+HCOO]- 366.171081 201.4
[M+CH3COO]- 380.186731 208.4
[M+Na-2H]- 342.147546 181.9
[M]+ 321.17233142 184.2
[M]- 321.17342858 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.