CID 16206245

2,3-dihydro-3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C23H18ClNO5
SMILES
COC1=C(C=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C23H18ClNO5/c1-28-19-12-9-15(13-20(19)29-2)23-25(21(26)14-7-10-16(24)11-8-14)22(27)17-5-3-4-6-18(17)30-23/h3-13,23H,1-2H3
InChIKey
VWWLAHFOHXJFCW-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.08734 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09462 199.1
[M+Na]+ 446.07656 208.2
[M-H]- 422.08006 209.1
[M+NH4]+ 441.12116 207.9
[M+K]+ 462.05050 204.0
[M+H-H2O]+ 406.08460 188.5
[M+HCOO]- 468.08554 211.6
[M+CH3COO]- 482.10119 208.8
[M+Na-2H]- 444.06201 200.5
[M]+ 423.08679 205.1
[M]- 423.08789 205.1
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.