CID 21435001

Bqevnnfamgruqu-uhfffaoysa-n

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1=NC2=C(C=C1)C(=O)C(=CN2CCO)C(=O)O
InChI
InChI=1S/C12H12N2O4/c1-7-2-3-8-10(16)9(12(17)18)6-14(4-5-15)11(8)13-7/h2-3,6,15H,4-5H2,1H3,(H,17,18)
InChIKey
BQEVNNFAMGRUQU-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.07971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 152.5
[M+Na]+ 271.068928 162.8
[M-H]- 247.072434 152.6
[M+NH4]+ 266.113533 167.3
[M+K]+ 287.042868 158.9
[M+H-H2O]+ 231.076970 145.4
[M+HCOO]- 293.077911 170.4
[M+CH3COO]- 307.093561 190.7
[M+Na-2H]- 269.054376 157.5
[M]+ 248.07916142 154.9
[M]- 248.08025858 154.9
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