CID 11142507

Ethyl 4-(7-chloro-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C17H12ClNO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C17H12ClNO5/c1-2-23-16(21)10-3-6-12(7-4-10)19-15(20)13-8-5-11(18)9-14(13)24-17(19)22/h3-9H,2H2,1H3
InChIKey
XALHWHHYZYLKMT-UHFFFAOYSA-N
Compound name
ethyl 4-(7-chloro-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.0404 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04768 173.1
[M+Na]+ 368.02962 185.2
[M-H]- 344.03312 181.2
[M+NH4]+ 363.07422 185.9
[M+K]+ 384.00356 181.4
[M+H-H2O]+ 328.03766 164.8
[M+HCOO]- 390.03860 189.8
[M+CH3COO]- 404.05425 209.8
[M+Na-2H]- 366.01507 178.3
[M]+ 345.03985 181.7
[M]- 345.04095 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.