CID 51036475

Apx-115 free base

Structural Information

Molecular Formula
C17H17N3O
SMILES
CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3
InChIKey
GIWZEELPLKPYBA-UHFFFAOYSA-N
Compound name
5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

135
Patents

279.13718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 166.4
[M+Na]+ 302.12640 182.1
[M+NH4]+ 297.17100 173.7
[M+K]+ 318.10034 175.7
[M-H]- 278.12990 170.7
[M+Na-2H]- 300.11185 176.3
[M]+ 279.13663 169.9
[M]- 279.13773 169.9
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

patents stripe