CID 315889

6-methyl-2-(4-nitrophenyl)-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O4/c1-9-2-7-13-12(8-9)15(18)21-14(16-13)10-3-5-11(6-4-10)17(19)20/h2-8H,1H3
InChIKey
WTVJDXZDNBVXMJ-UHFFFAOYSA-N
Compound name
6-methyl-2-(4-nitrophenyl)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.06406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 160.4
[M+Na]+ 305.053278 169.7
[M-H]- 281.056784 168.3
[M+NH4]+ 300.097883 173.7
[M+K]+ 321.027218 162.8
[M+H-H2O]+ 265.061320 155.9
[M+HCOO]- 327.062261 183.3
[M+CH3COO]- 341.077911 195.2
[M+Na-2H]- 303.038726 170.2
[M]+ 282.06351142 162.0
[M]- 282.06460858 162.0
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

patents stripe