CID 215292

35382-87-7

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O4/c1-16-13-8-7-11(17(19)20)9-12(13)14(21-15(16)18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKey
VYJZVGDWPBYNGO-UHFFFAOYSA-N
Compound name
1-methyl-6-nitro-4-phenyl-4H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.9
[M+Na]+ 307.06892 169.3
[M-H]- 283.07242 169.1
[M+NH4]+ 302.11352 174.9
[M+K]+ 323.04286 162.7
[M+H-H2O]+ 267.07696 157.5
[M+HCOO]- 329.07790 182.0
[M+CH3COO]- 343.09355 195.7
[M+Na-2H]- 305.05437 169.9
[M]+ 284.07915 160.7
[M]- 284.08025 160.7
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.