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]+ 249.06183 148.3
[M+Na]+ 271.04377 155.5
[M-H]- 247.04727 148.9
[M+NH4]+ 266.08837 160.3
[M+K]+ 287.01771 148.7
[M+H-H2O]+ 231.05181 143.9
[M+HCOO]- 293.05275 163.0
[M+CH3COO]- 307.06840 184.9
[M+Na-2H]- 269.02922 159.5
[M]+ 248.05400 144.0
[M]- 248.05510 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.