CID 54225

2h-1,4-benzoxazine-6-acetic acid, 2-oxo-3-phenyl-, methyl ester

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO4/c1-21-15(19)10-11-7-8-14-13(9-11)18-16(17(20)22-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
HTQKRAKMGJDOPD-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 165.3
[M+Na]+ 318.07369 174.8
[M-H]- 294.07719 172.8
[M+NH4]+ 313.11829 178.8
[M+K]+ 334.04763 172.2
[M+H-H2O]+ 278.08173 156.1
[M+HCOO]- 340.08267 186.2
[M+CH3COO]- 354.09832 202.0
[M+Na-2H]- 316.05914 172.2
[M]+ 295.08392 169.9
[M]- 295.08502 169.9
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.