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 182.0
[M+Na]+ 366.11007 189.5
[M-H]- 342.11357 191.7
[M+NH4]+ 361.15467 192.9
[M+K]+ 382.08401 185.1
[M+H-H2O]+ 326.11811 171.2
[M+HCOO]- 388.11905 199.3
[M+CH3COO]- 402.13470 192.3
[M+Na-2H]- 364.09552 185.6
[M]+ 343.12030 181.5
[M]- 343.12140 181.5
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.