CID 74947

2067-84-7

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC2=C(NC(=O)C(=O)N2)N=C1
InChI
InChI=1S/C7H5N3O2/c11-6-7(12)10-5-4(9-6)2-1-3-8-5/h1-3H,(H,9,11)(H,8,10,12)
InChIKey
ZTCJWOFMAWQWRD-UHFFFAOYSA-N
Compound name
1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

147
Patents

163.03818 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.8
[M+Na]+ 186.02740 141.2
[M-H]- 162.03090 128.5
[M+NH4]+ 181.07200 146.4
[M+K]+ 202.00134 136.3
[M+H-H2O]+ 146.03544 122.7
[M+HCOO]- 208.03638 148.7
[M+CH3COO]- 222.05203 142.7
[M+Na-2H]- 184.01285 140.0
[M]+ 163.03763 127.9
[M]- 163.03873 127.9
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