CID 474678

[3-[(2r)-4-oxo-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-2-yl]phenyl] acetate

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC(=O)OC1=CC=CC(=C1)[C@H]2CC23C(=O)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H15NO4/c1-12(21)23-15-9-5-8-14(10-15)16-11-19(16)18(22)24-17(20-19)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3/t16-,19?/m1/s1
InChIKey
DUTXZLBGCUTCPU-VTBWFHPJSA-N
Compound name
[3-[(2R)-7-oxo-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-2-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 173.7
[M+Na]+ 344.08932 184.5
[M-H]- 320.09282 186.1
[M+NH4]+ 339.13392 184.4
[M+K]+ 360.06326 181.7
[M+H-H2O]+ 304.09736 166.0
[M+HCOO]- 366.09830 194.9
[M+CH3COO]- 380.11395 185.8
[M+Na-2H]- 342.07477 177.0
[M]+ 321.09955 179.3
[M]- 321.10065 179.3
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.