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 172.9
[M+Na]+ 348.08425 182.7
[M-H]- 324.08775 180.6
[M+NH4]+ 343.12885 185.3
[M+K]+ 364.05819 180.7
[M+H-H2O]+ 308.09229 163.5
[M+HCOO]- 370.09323 193.7
[M+CH3COO]- 384.10888 208.5
[M+Na-2H]- 346.06970 178.7
[M]+ 325.09448 179.7
[M]- 325.09558 179.7
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.