CID 54228

Brn 4531335

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CC(=O)OC)OC2=O
InChI
InChI=1S/C18H15NO4/c1-11-3-6-13(7-4-11)17-18(21)23-15-8-5-12(9-14(15)19-17)10-16(20)22-2/h3-9H,10H2,1-2H3
InChIKey
XRNMFZFFAQJGKU-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.3
[M+Na]+ 332.08932 186.0
[M+NH4]+ 327.13392 176.7
[M+K]+ 348.06326 178.7
[M-H]- 308.09282 174.6
[M+Na-2H]- 330.07477 177.2
[M]+ 309.09955 173.3
[M]- 309.10065 173.3
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.