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 176.8
[M+Na]+ 368.06600 192.4
[M+NH4]+ 363.11060 184.4
[M+K]+ 384.03994 184.8
[M-H]- 344.06950 181.7
[M+Na-2H]- 366.05145 183.1
[M]+ 345.07623 180.8
[M]- 345.07733 180.8
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.