CID 2761118

2-(1,6-naphthyridin-2-yl)benzoic acid hydrate

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C=C2)C=NC=C3)C(=O)O
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-4-2-1-3-11(12)14-6-5-10-9-16-8-7-13(10)17-14/h1-9H,(H,18,19)
InChIKey
YGSRIJFKQRHUOK-UHFFFAOYSA-N
Compound name
2-(1,6-naphthyridin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.07423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 154.8
[M+Na]+ 273.06345 163.7
[M-H]- 249.06695 158.7
[M+NH4]+ 268.10805 169.1
[M+K]+ 289.03739 158.5
[M+H-H2O]+ 233.07149 145.8
[M+HCOO]- 295.07243 174.0
[M+CH3COO]- 309.08808 166.4
[M+Na-2H]- 271.04890 162.6
[M]+ 250.07368 154.3
[M]- 250.07478 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