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]+ 285.086976 161.9
[M+Na]+ 307.068918 169.3
[M-H]- 283.072424 169.1
[M+NH4]+ 302.113523 174.9
[M+K]+ 323.042858 162.7
[M+H-H2O]+ 267.076960 157.5
[M+HCOO]- 329.077901 182.0
[M+CH3COO]- 343.093551 195.7
[M+Na-2H]- 305.054366 169.9
[M]+ 284.07915142 160.7
[M]- 284.08024858 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.