CID 13524882

103952-76-7

Structural Information

Molecular Formula
C23H19NO5
SMILES
COC1=C(C=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C23H19NO5/c1-27-19-13-12-16(14-20(19)28-2)23-24(21(25)15-8-4-3-5-9-15)22(26)17-10-6-7-11-18(17)29-23/h3-14,23H,1-2H3
InChIKey
WWNFKPJMIYSSME-UHFFFAOYSA-N
Compound name
3-benzoyl-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1263 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 192.7
[M+Na]+ 412.11552 200.1
[M-H]- 388.11902 202.6
[M+NH4]+ 407.16012 201.7
[M+K]+ 428.08946 197.2
[M+H-H2O]+ 372.12356 181.4
[M+HCOO]- 434.12450 209.8
[M+CH3COO]- 448.14015 202.5
[M+Na-2H]- 410.10097 195.3
[M]+ 389.12575 195.7
[M]- 389.12685 195.7
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.