CID 3071996

(1,2,4)triazino(3,4-c)(1,4)benzoxazin-2(1h)-one, 3,5-dihydro-7-nitro-

Structural Information

Molecular Formula
C10H8N4O4
SMILES
C1C(=O)NN=C2N1C3=C(C(=CC=C3)[N+](=O)[O-])OC2
InChI
InChI=1S/C10H8N4O4/c15-9-4-13-6-2-1-3-7(14(16)17)10(6)18-5-8(13)11-12-9/h1-3H,4-5H2,(H,12,15)
InChIKey
ZUYBCBGMZVTZLL-UHFFFAOYSA-N
Compound name
7-nitro-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.05455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.061826 148.3
[M+Na]+ 271.043768 155.5
[M-H]- 247.047274 148.9
[M+NH4]+ 266.088373 160.3
[M+K]+ 287.017708 148.7
[M+H-H2O]+ 231.051810 143.9
[M+HCOO]- 293.052751 163.0
[M+CH3COO]- 307.068401 184.9
[M+Na-2H]- 269.029216 159.5
[M]+ 248.05400142 144.0
[M]- 248.05509858 144.0
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.