CID 6485411

956371-98-5

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=CC=NN1CC2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20)
InChIKey
OKRIIXQGYJWTIZ-UHFFFAOYSA-N
Compound name
2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 160.1
[M+Na]+ 290.08999 175.4
[M+NH4]+ 285.13459 167.2
[M+K]+ 306.06393 170.4
[M-H]- 266.09349 162.3
[M+Na-2H]- 288.07544 167.9
[M]+ 267.10022 162.9
[M]- 267.10132 162.9
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.