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]+ 310.107376 169.8
[M+Na]+ 332.089318 178.5
[M-H]- 308.092824 177.2
[M+NH4]+ 327.133923 182.6
[M+K]+ 348.063258 176.2
[M+H-H2O]+ 292.097360 160.6
[M+HCOO]- 354.098301 189.4
[M+CH3COO]- 368.113951 205.9
[M+Na-2H]- 330.074766 175.0
[M]+ 309.09955142 174.1
[M]- 309.10064858 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.