CID 3046229

Pyridazino(4,5-b)quinoxalin-1(2h)-one

Structural Information

Molecular Formula
C10H6N4O
SMILES
C1=CC=C2C(=C1)N=C3C=NNC(=O)C3=N2
InChI
InChI=1S/C10H6N4O/c15-10-9-8(5-11-14-10)12-6-3-1-2-4-7(6)13-9/h1-5H,(H,14,15)
InChIKey
OHZWTYRHGCSMCS-UHFFFAOYSA-N
Compound name
3H-pyridazino[4,5-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05415 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06143 140.3
[M+Na]+ 221.04337 153.0
[M-H]- 197.04687 140.0
[M+NH4]+ 216.08797 155.7
[M+K]+ 237.01731 146.9
[M+H-H2O]+ 181.05141 131.3
[M+HCOO]- 243.05235 159.0
[M+CH3COO]- 257.06800 152.9
[M+Na-2H]- 219.02882 153.5
[M]+ 198.05360 141.2
[M]- 198.05470 141.2
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