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

0
Patents

198.05415 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.061426 140.3
[M+Na]+ 221.043368 153.0
[M-H]- 197.046874 140.0
[M+NH4]+ 216.087973 155.7
[M+K]+ 237.017308 146.9
[M+H-H2O]+ 181.051410 131.3
[M+HCOO]- 243.052351 159.0
[M+CH3COO]- 257.068001 152.9
[M+Na-2H]- 219.028816 153.5
[M]+ 198.05360142 141.2
[M]- 198.05469858 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