CID 3087410

2,3-dihydro-2-(4-methylphenyl)-3-(4-nitrobenzoyl)-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C22H16N2O5
SMILES
CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H16N2O5/c1-14-6-8-16(9-7-14)22-23(21(26)18-4-2-3-5-19(18)29-22)20(25)15-10-12-17(13-11-15)24(27)28/h2-13,22H,1H3
InChIKey
RUFGRTICHGABTF-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-3-(4-nitrobenzoyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10593 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11321 188.4
[M+Na]+ 411.09515 205.2
[M+NH4]+ 406.13975 195.4
[M+K]+ 427.06909 200.4
[M-H]- 387.09865 196.9
[M+Na-2H]- 409.08060 196.5
[M]+ 388.10538 193.2
[M]- 388.10648 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.