CID 504599

1,5-diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1[C@@H](C12C(=O)OC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H13NO2/c19-16-17(11-14(17)12-7-3-1-4-8-12)18-15(20-16)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-,17?/m1/s1
InChIKey
ULXGGSMQBXPSTH-XPCCGILXSA-N
Compound name
(2R)-2,5-diphenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.2
[M+Na]+ 286.08386 170.3
[M-H]- 262.08736 171.4
[M+NH4]+ 281.12846 172.2
[M+K]+ 302.05780 167.2
[M+H-H2O]+ 246.09190 151.4
[M+HCOO]- 308.09284 181.7
[M+CH3COO]- 322.10849 172.2
[M+Na-2H]- 284.06931 165.1
[M]+ 263.09409 162.1
[M]- 263.09519 162.1
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.