CID 60631

114439-73-5

Structural Information

Molecular Formula
C23H19NO4
SMILES
CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19NO4/c1-15-7-9-17(10-8-15)23-24(21(25)16-11-13-18(27-2)14-12-16)22(26)19-5-3-4-6-20(19)28-23/h3-14,23H,1-2H3
InChIKey
KKOKBFATFMXJNC-UHFFFAOYSA-N
Compound name
3-(4-methoxybenzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.138676 189.9
[M+Na]+ 396.120618 197.6
[M-H]- 372.124124 199.8
[M+NH4]+ 391.165223 199.7
[M+K]+ 412.094558 193.9
[M+H-H2O]+ 356.128660 178.9
[M+HCOO]- 418.129601 206.9
[M+CH3COO]- 432.145251 199.9
[M+Na-2H]- 394.106066 192.4
[M]+ 373.13085142 191.6
[M]- 373.13194858 191.6
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.