CID 20378754

1,7-dimethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=NC2=C(C=C1)C(=O)C(=CN2C)C(=O)O
InChI
InChI=1S/C11H10N2O3/c1-6-3-4-7-9(14)8(11(15)16)5-13(2)10(7)12-6/h3-5H,1-2H3,(H,15,16)
InChIKey
FIQGPIHRUIEFQF-UHFFFAOYSA-N
Compound name
1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

218.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.2
[M+Na]+ 241.058358 155.6
[M-H]- 217.061864 146.0
[M+NH4]+ 236.102963 161.1
[M+K]+ 257.032298 152.2
[M+H-H2O]+ 201.066400 137.3
[M+HCOO]- 263.067341 163.8
[M+CH3COO]- 277.082991 187.9
[M+Na-2H]- 239.043806 150.2
[M]+ 218.06859142 146.7
[M]- 218.06968858 146.7
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