CID 60630

114439-72-4

Structural Information

Molecular Formula
C22H17NO3
SMILES
CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17NO3/c1-15-11-13-17(14-12-15)22-23(20(24)16-7-3-2-4-8-16)21(25)18-9-5-6-10-19(18)26-22/h2-14,22H,1H3
InChIKey
DZFSABKQLNSTHG-UHFFFAOYSA-N
Compound name
3-benzoyl-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 181.0
[M+Na]+ 366.11007 198.4
[M+NH4]+ 361.15467 189.4
[M+K]+ 382.08401 189.7
[M-H]- 342.11357 189.2
[M+Na-2H]- 364.09552 190.6
[M]+ 343.12030 186.1
[M]- 343.12140 186.1
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.