CID 54229

Brn 4547962

Structural Information

Molecular Formula
C18H15NO5
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CC(=O)OC)OC2=O
InChI
InChI=1S/C18H15NO5/c1-22-13-6-4-12(5-7-13)17-18(21)24-15-8-3-11(9-14(15)19-17)10-16(20)23-2/h3-9H,10H2,1-2H3
InChIKey
VNIIOSKMQUJBKT-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-methoxyphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09503 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 172.4
[M+Na]+ 348.08425 188.5
[M+NH4]+ 343.12885 179.2
[M+K]+ 364.05819 181.9
[M-H]- 324.08775 177.2
[M+Na-2H]- 346.06970 179.8
[M]+ 325.09448 176.1
[M]- 325.09558 176.1
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.