CID 467563

1-(4-methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=CC=C(C=C1)C2CC23C(=O)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)15-11-18(15)17(20)21-16(19-18)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
InChIKey
QDWWBWXQWXIJNT-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.2
[M+Na]+ 300.09952 174.8
[M-H]- 276.10302 175.6
[M+NH4]+ 295.14412 176.0
[M+K]+ 316.07346 171.3
[M+H-H2O]+ 260.10756 155.5
[M+HCOO]- 322.10850 185.3
[M+CH3COO]- 336.12415 176.2
[M+Na-2H]- 298.08497 167.9
[M]+ 277.10975 166.9
[M]- 277.11085 166.9
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

No patent data available for this compound.