CID 54687028

Nsc645428

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1CC2=CC(=C(C(=O)N2C1)CC3=CC=CC=C3)O
InChI
InChI=1S/C15H15NO2/c17-14-10-12-7-4-8-16(12)15(18)13(14)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2
InChIKey
ORZIYCYODHTTOR-UHFFFAOYSA-N
Compound name
6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 152.9
[M+Na]+ 264.09950 161.9
[M-H]- 240.10300 158.3
[M+NH4]+ 259.14410 171.4
[M+K]+ 280.07344 156.9
[M+H-H2O]+ 224.10754 145.6
[M+HCOO]- 286.10848 173.9
[M+CH3COO]- 300.12413 165.5
[M+Na-2H]- 262.08495 157.2
[M]+ 241.10973 152.5
[M]- 241.11083 152.5
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.