CID 714761

6,7-dimethoxy-2-(3-nitrophenyl)-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C16H12N2O6
SMILES
COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C16H12N2O6/c1-22-13-7-11-12(8-14(13)23-2)17-15(24-16(11)19)9-4-3-5-10(6-9)18(20)21/h3-8H,1-2H3
InChIKey
HSFDECLWIMVSIE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

328.06955 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.076826 171.4
[M+Na]+ 351.058768 180.6
[M-H]- 327.062274 179.5
[M+NH4]+ 346.103373 182.8
[M+K]+ 367.032708 174.8
[M+H-H2O]+ 311.066810 166.3
[M+HCOO]- 373.067751 194.1
[M+CH3COO]- 387.083401 203.8
[M+Na-2H]- 349.044216 180.4
[M]+ 328.06900142 176.4
[M]- 328.07009858 176.4
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