CID 385048

Nsc675969

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2
InChI
InChI=1S/C15H10N2O4/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(17(19)20)8-12(13)15(18)21-14/h2-8H,1H3
InChIKey
ALSLPTLXOJEJKL-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-6-nitro-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 160.4
[M+Na]+ 305.05328 169.7
[M-H]- 281.05678 168.3
[M+NH4]+ 300.09788 173.7
[M+K]+ 321.02722 162.8
[M+H-H2O]+ 265.06132 155.9
[M+HCOO]- 327.06226 183.3
[M+CH3COO]- 341.07791 195.2
[M+Na-2H]- 303.03873 170.2
[M]+ 282.06351 162.0
[M]- 282.06461 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

No patent data available for this compound.