CID 5272722

Ethanone, 1-(2-phenyl-6-indolizinyl)-

Structural Information

Molecular Formula
C16H13NO
SMILES
CC(=O)C1=CN2C=C(C=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c1-12(18)14-7-8-16-9-15(11-17(16)10-14)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
BJPGZCGIHNATMH-UHFFFAOYSA-N
Compound name
1-(2-phenylindolizin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09972 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 151.9
[M+Na]+ 258.08894 161.9
[M-H]- 234.09244 159.0
[M+NH4]+ 253.13354 171.2
[M+K]+ 274.06288 157.0
[M+H-H2O]+ 218.09698 144.3
[M+HCOO]- 280.09792 175.8
[M+CH3COO]- 294.11357 165.6
[M+Na-2H]- 256.07439 157.6
[M]+ 235.09917 154.1
[M]- 235.10027 154.1
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.