CID 13524886

103952-80-3

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]+ 420.144176 200.2
[M+Na]+ 442.126118 207.7
[M-H]- 418.129624 210.2
[M+NH4]+ 437.170723 208.0
[M+K]+ 458.100058 205.5
[M+H-H2O]+ 402.134160 188.6
[M+HCOO]- 464.135101 217.0
[M+CH3COO]- 478.150751 228.0
[M+Na-2H]- 440.111566 201.7
[M]+ 419.13635142 205.4
[M]- 419.13744858 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.