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]+ 374.13868 189.9
[M+Na]+ 396.12062 197.6
[M-H]- 372.12412 199.8
[M+NH4]+ 391.16522 199.7
[M+K]+ 412.09456 193.9
[M+H-H2O]+ 356.12866 178.9
[M+HCOO]- 418.12960 206.9
[M+CH3COO]- 432.14525 199.9
[M+Na-2H]- 394.10607 192.4
[M]+ 373.13085 191.6
[M]- 373.13195 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.