CID 21186

5110-01-0

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=N3
InChI
InChI=1S/C16H12N2O2/c1-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-2-3-7-17-14/h2-9H,1H3,(H,19,20)
InChIKey
CITNJIFNHJTCDD-UHFFFAOYSA-N
Compound name
6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.7
[M+Na]+ 287.07909 169.1
[M-H]- 263.08259 163.8
[M+NH4]+ 282.12369 173.8
[M+K]+ 303.05303 163.7
[M+H-H2O]+ 247.08713 150.7
[M+HCOO]- 309.08807 178.5
[M+CH3COO]- 323.10372 171.2
[M+Na-2H]- 285.06454 166.2
[M]+ 264.08932 160.0
[M]- 264.09042 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.