CID 54230

78587-66-3

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C18H15NO4/c1-11(17(20)22-2)13-8-9-15-14(10-13)19-16(18(21)23-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
YTOOCHWXKPQLAO-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.8
[M+Na]+ 332.08932 178.5
[M-H]- 308.09282 177.2
[M+NH4]+ 327.13392 182.6
[M+K]+ 348.06326 176.2
[M+H-H2O]+ 292.09736 160.6
[M+HCOO]- 354.09830 189.4
[M+CH3COO]- 368.11395 205.9
[M+Na-2H]- 330.07477 175.0
[M]+ 309.09955 174.1
[M]- 309.10065 174.1
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.