CID 215291

35382-76-4

Structural Information

Molecular Formula
C18H16ClNO4
SMILES
CCOC(=O)CN1C2=C(C=C(C=C2)Cl)C(OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16ClNO4/c1-2-23-16(21)11-20-15-9-8-13(19)10-14(15)17(24-18(20)22)12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKey
HPLYKCKUDFMHGL-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloro-2-oxo-4-phenyl-4H-3,1-benzoxazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.07678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08406 177.7
[M+Na]+ 368.06600 186.4
[M-H]- 344.06950 184.3
[M+NH4]+ 363.11060 190.1
[M+K]+ 384.03994 182.4
[M+H-H2O]+ 328.07404 169.2
[M+HCOO]- 390.07498 190.8
[M+CH3COO]- 404.09063 210.4
[M+Na-2H]- 366.05145 181.0
[M]+ 345.07623 182.5
[M]- 345.07733 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.