CID 474677

(2r)-2-(4-chlorophenyl)-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
C1[C@@H](C12C(=O)OC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClNO2/c18-13-8-6-11(7-9-13)14-10-17(14)16(20)21-15(19-17)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-,17?/m1/s1
InChIKey
ASJFWVSQCXWGOU-XPCCGILXSA-N
Compound name
(2R)-2-(4-chlorophenyl)-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

297.05566 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 165.0
[M+Na]+ 320.04488 177.3
[M-H]- 296.04838 177.0
[M+NH4]+ 315.08948 177.6
[M+K]+ 336.01882 172.7
[M+H-H2O]+ 280.05292 157.5
[M+HCOO]- 342.05386 182.8
[M+CH3COO]- 356.06951 177.8
[M+Na-2H]- 318.03033 169.6
[M]+ 297.05511 170.3
[M]- 297.05621 170.3
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.