CID 2761117

2-(1,8-naphthyridin-2-yl)benzoic acid

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C=CC=N3)C=C2)C(=O)O
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)
InChIKey
GESFCCAHDCEFFP-UHFFFAOYSA-N
Compound name
2-(1,8-naphthyridin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.07423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.081506 154.8
[M+Na]+ 273.063448 163.7
[M-H]- 249.066954 158.7
[M+NH4]+ 268.108053 169.1
[M+K]+ 289.037388 158.5
[M+H-H2O]+ 233.071490 145.8
[M+HCOO]- 295.072431 174.0
[M+CH3COO]- 309.088081 166.4
[M+Na-2H]- 271.048896 162.6
[M]+ 250.07368142 154.3
[M]- 250.07477858 154.3
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