CID 13524890

2,3-dihydro-3-(4-methoxybenzoyl)-2-(4-(trifluoromethyl)phenyl)-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C23H16F3NO4
SMILES
COC1=CC=C(C=C1)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H16F3NO4/c1-30-17-12-8-14(9-13-17)20(28)27-21(29)18-4-2-3-5-19(18)31-22(27)15-6-10-16(11-7-15)23(24,25)26/h2-13,22H,1H3
InChIKey
OVPKFYBGQHJPJR-UHFFFAOYSA-N
Compound name
3-(4-methoxybenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.10315 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11043 201.3
[M+Na]+ 450.09237 209.6
[M-H]- 426.09587 207.2
[M+NH4]+ 445.13697 208.7
[M+K]+ 466.06631 204.9
[M+H-H2O]+ 410.10041 187.8
[M+HCOO]- 472.10135 213.3
[M+CH3COO]- 486.11700 226.9
[M+Na-2H]- 448.07782 202.7
[M]+ 427.10260 199.3
[M]- 427.10370 199.3
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.