CID 11300445

241798-75-4

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)O
InChI
InChI=1S/C16H13N3O2/c20-16(21)12-9-18-19(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-17-13/h1-5,8-10H,6-7H2,(H,20,21)
InChIKey
WSLKLYKPUZWAQW-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

279.10077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 167.7
[M+Na]+ 302.08999 184.4
[M+NH4]+ 297.13459 175.8
[M+K]+ 318.06393 180.2
[M-H]- 278.09349 178.2
[M+Na-2H]- 300.07544 178.4
[M]+ 279.10022 174.2
[M]- 279.10132 174.2
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

patents stripe