CID 5272713

6-butyl-2-phenylindolizine

Structural Information

Molecular Formula
C18H19N
SMILES
CCCCC1=CN2C=C(C=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c1-2-3-7-15-10-11-18-12-17(14-19(18)13-15)16-8-5-4-6-9-16/h4-6,8-14H,2-3,7H2,1H3
InChIKey
QYMLIRLYHRZAQY-UHFFFAOYSA-N
Compound name
6-butyl-2-phenylindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 158.5
[M+Na]+ 272.14097 167.8
[M-H]- 248.14447 165.1
[M+NH4]+ 267.18557 177.5
[M+K]+ 288.11491 161.9
[M+H-H2O]+ 232.14901 150.4
[M+HCOO]- 294.14995 182.3
[M+CH3COO]- 308.16560 171.5
[M+Na-2H]- 270.12642 164.2
[M]+ 249.15120 161.2
[M]- 249.15230 161.2
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.