CID 54231

Brn 4545169

Structural Information

Molecular Formula
C18H14ClNO4
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C18H14ClNO4/c1-10(17(21)23-2)12-5-8-15-14(9-12)20-16(18(22)24-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3
InChIKey
XUTNGYIMWPBOHJ-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06841 175.3
[M+Na]+ 366.05035 185.7
[M-H]- 342.05385 182.9
[M+NH4]+ 361.09495 188.0
[M+K]+ 382.02429 182.0
[M+H-H2O]+ 326.05839 167.0
[M+HCOO]- 388.05933 190.3
[M+CH3COO]- 402.07498 210.8
[M+Na-2H]- 364.03580 179.5
[M]+ 343.06058 182.5
[M]- 343.06168 182.5
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.