CID 3075058

171204-20-9

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC=NC=C3)C(=O)O
InChI
InChI=1S/C15H11N3O2/c19-15(20)12-9-14(17-10-5-7-16-8-6-10)18-13-4-2-1-3-11(12)13/h1-9H,(H,19,20)(H,16,17,18)
InChIKey
DLISSFAOOFLIMX-UHFFFAOYSA-N
Compound name
2-(pyridin-4-ylamino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0851 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 157.9
[M+Na]+ 288.074318 165.8
[M-H]- 264.077824 161.7
[M+NH4]+ 283.118923 171.2
[M+K]+ 304.048258 160.6
[M+H-H2O]+ 248.082360 148.5
[M+HCOO]- 310.083301 178.1
[M+CH3COO]- 324.098951 168.9
[M+Na-2H]- 286.059766 166.3
[M]+ 265.08455142 156.8
[M]- 265.08564858 156.8
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

No patent data available for this compound.