CID 54680865

3,7-dimethyl[1,8]naphthyridine-2,4-diol

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NC2=C(C=C1)C(=C(C(=O)N2)C)O
InChI
InChI=1S/C10H10N2O2/c1-5-3-4-7-8(13)6(2)10(14)12-9(7)11-5/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKey
VDXCNKZXAVCPCX-UHFFFAOYSA-N
Compound name
4-hydroxy-3,7-dimethyl-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

190.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.0
[M+Na]+ 213.06345 150.7
[M-H]- 189.06695 139.5
[M+NH4]+ 208.10805 156.6
[M+K]+ 229.03739 146.0
[M+H-H2O]+ 173.07149 132.6
[M+HCOO]- 235.07243 158.1
[M+CH3COO]- 249.08808 180.1
[M+Na-2H]- 211.04890 146.1
[M]+ 190.07368 139.2
[M]- 190.07478 139.2
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

No patent data available for this compound.