CID 504600

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

Structural Information

Molecular Formula
C18H15NO3
SMILES
COC1=CC=C(C=C1)[C@H]2CC23C(=O)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18?/m1/s1
InChIKey
NFJWLBFNZOFFPU-NNJIEVJOSA-N
Compound name
(2R)-2-(4-methoxyphenyl)-5-phenyl-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

293.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.9
[M+Na]+ 316.09442 178.3
[M-H]- 292.09792 179.3
[M+NH4]+ 311.13902 179.0
[M+K]+ 332.06836 175.4
[M+H-H2O]+ 276.10246 159.1
[M+HCOO]- 338.10340 189.1
[M+CH3COO]- 352.11905 179.7
[M+Na-2H]- 314.07987 171.7
[M]+ 293.10465 172.0
[M]- 293.10575 172.0
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.