CID 3039149

39a69

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC2=CC(=C(N=C2N=C1)N)C(=O)N
InChI
InChI=1S/C9H8N4O/c10-7-6(8(11)14)4-5-2-1-3-12-9(5)13-7/h1-4H,(H2,11,14)(H2,10,12,13)
InChIKey
HPADGDFXUYBWMU-UHFFFAOYSA-N
Compound name
2-amino-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.06981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 138.1
[M+Na]+ 211.059028 147.3
[M-H]- 187.062534 139.7
[M+NH4]+ 206.103633 155.3
[M+K]+ 227.032968 143.8
[M+H-H2O]+ 171.067070 130.5
[M+HCOO]- 233.068011 160.3
[M+CH3COO]- 247.083661 187.2
[M+Na-2H]- 209.044476 146.0
[M]+ 188.06926142 135.4
[M]- 188.07035858 135.4
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