CID 54234

Brn 4538686

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(C)C(=O)OC)OC2=O
InChI
InChI=1S/C19H17NO4/c1-11-4-6-13(7-5-11)17-19(22)24-16-9-8-14(10-15(16)20-17)12(2)18(21)23-3/h4-10,12H,1-3H3
InChIKey
WLMOKEHTSFINNA-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 173.3
[M+Na]+ 346.10497 189.3
[M+NH4]+ 341.14957 180.4
[M+K]+ 362.07891 182.8
[M-H]- 322.10847 178.3
[M+Na-2H]- 344.09042 180.6
[M]+ 323.11520 177.1
[M]- 323.11630 177.1
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.