CID 54235

Brn 4554868

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)OC)C(=O)OC
InChI
InChI=1S/C19H17NO5/c1-11(18(21)24-3)13-6-9-16-15(10-13)20-17(19(22)25-16)12-4-7-14(23-2)8-5-12/h4-11H,1-3H3
InChIKey
QSQCRFXGTRAENN-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-methoxyphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 177.3
[M+Na]+ 362.09992 186.3
[M-H]- 338.10342 184.9
[M+NH4]+ 357.14452 189.0
[M+K]+ 378.07386 184.6
[M+H-H2O]+ 322.10796 167.8
[M+HCOO]- 384.10890 196.7
[M+CH3COO]- 398.12455 212.3
[M+Na-2H]- 360.08537 181.4
[M]+ 339.11015 183.8
[M]- 339.11125 183.8
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.