CID 15956861

Schembl6451253

Structural Information

Molecular Formula
C22H20N4O
SMILES
CCCNC(=O)C1=CC(=NN1C2=CC=CC=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H20N4O/c1-2-12-24-22(27)20-15-19(25-26(20)21-9-5-6-13-23-21)18-11-10-16-7-3-4-8-17(16)14-18/h3-11,13-15H,2,12H2,1H3,(H,24,27)
InChIKey
QTYNOHMINVSCPU-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-N-propyl-2-pyridin-2-ylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.1637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 186.1
[M+Na]+ 379.15292 194.4
[M-H]- 355.15642 193.3
[M+NH4]+ 374.19752 196.8
[M+K]+ 395.12686 187.0
[M+H-H2O]+ 339.16096 174.5
[M+HCOO]- 401.16190 207.2
[M+CH3COO]- 415.17755 196.0
[M+Na-2H]- 377.13837 190.7
[M]+ 356.16315 188.1
[M]- 356.16425 188.1
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

patents stripe