CID 613534

6-ethyl-2-phenylindolizine

Structural Information

Molecular Formula
C16H15N
SMILES
CCC1=CN2C=C(C=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-2-13-8-9-16-10-15(12-17(16)11-13)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKey
ZOTZLJLIJRDAKW-UHFFFAOYSA-N
Compound name
6-ethyl-2-phenylindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

221.12045 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 149.0
[M+Na]+ 244.10967 159.2
[M-H]- 220.11317 156.0
[M+NH4]+ 239.15427 169.2
[M+K]+ 260.08361 153.8
[M+H-H2O]+ 204.11771 141.4
[M+HCOO]- 266.11865 173.6
[M+CH3COO]- 280.13430 162.9
[M+Na-2H]- 242.09512 155.9
[M]+ 221.11990 151.1
[M]- 221.12100 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe