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]+ 298.062936 165.0
[M+Na]+ 320.044878 177.3
[M-H]- 296.048384 177.0
[M+NH4]+ 315.089483 177.6
[M+K]+ 336.018818 172.7
[M+H-H2O]+ 280.052920 157.5
[M+HCOO]- 342.053861 182.8
[M+CH3COO]- 356.069511 177.8
[M+Na-2H]- 318.030326 169.6
[M]+ 297.05511142 170.3
[M]- 297.05620858 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

literature stripe

Patent stripe

No patent data available for this compound.