CID 3087409

2-(4-tolyl)-3-(4-chlorobenzoyl)-4-oxo-4h-2,3-dihydro-1,3-benzoxazine

Structural Information

Molecular Formula
C22H16ClNO3
SMILES
CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H16ClNO3/c1-14-6-8-16(9-7-14)22-24(20(25)15-10-12-17(23)13-11-15)21(26)18-4-2-3-5-19(18)27-22/h2-13,22H,1H3
InChIKey
QQYFOQQTSYRHOA-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08188 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08916 187.5
[M+Na]+ 400.07110 206.2
[M+NH4]+ 395.11570 196.2
[M+K]+ 416.04504 196.6
[M-H]- 376.07460 195.8
[M+Na-2H]- 398.05655 196.9
[M]+ 377.08133 193.2
[M]- 377.08243 193.2
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.