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]+ 266.09238 157.9
[M+Na]+ 288.07432 165.8
[M-H]- 264.07782 161.7
[M+NH4]+ 283.11892 171.2
[M+K]+ 304.04826 160.6
[M+H-H2O]+ 248.08236 148.5
[M+HCOO]- 310.08330 178.1
[M+CH3COO]- 324.09895 168.9
[M+Na-2H]- 286.05977 166.3
[M]+ 265.08455 156.8
[M]- 265.08565 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.