CID 13524886

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

Structural Information

Molecular Formula
C24H21NO6
SMILES
COC1=CC=C(C=C1)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H21NO6/c1-28-17-11-8-15(9-12-17)22(26)25-23(27)18-6-4-5-7-19(18)31-24(25)16-10-13-20(29-2)21(14-16)30-3/h4-14,24H,1-3H3
InChIKey
WINQJSCWEMVUEQ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-(4-methoxybenzoyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1369 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14418 200.2
[M+Na]+ 442.12612 207.7
[M-H]- 418.12962 210.2
[M+NH4]+ 437.17072 208.0
[M+K]+ 458.10006 205.5
[M+H-H2O]+ 402.13416 188.6
[M+HCOO]- 464.13510 217.0
[M+CH3COO]- 478.15075 228.0
[M+Na-2H]- 440.11157 201.7
[M]+ 419.13635 205.4
[M]- 419.13745 205.4
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.