CID 66749614

1481922-02-4

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1C(=O)NC2=C(N1)C=CC=N2
InChI
InChI=1S/C7H7N3O/c11-6-4-9-5-2-1-3-8-7(5)10-6/h1-3,9H,4H2,(H,8,10,11)
InChIKey
OGXWZFHEGDMCKK-UHFFFAOYSA-N
Compound name
2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

149.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 130.1
[M+Na]+ 172.04813 138.2
[M-H]- 148.05163 127.5
[M+NH4]+ 167.09273 146.7
[M+K]+ 188.02207 133.9
[M+H-H2O]+ 132.05617 122.6
[M+HCOO]- 194.05711 145.7
[M+CH3COO]- 208.07276 141.5
[M+Na-2H]- 170.03358 138.9
[M]+ 149.05836 124.2
[M]- 149.05946 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe