CID 1859668

130421-48-6

Structural Information

Molecular Formula

C₁₅H₁₂N₄O

SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=N3

InChI

InChI=1S/C15H12N4O/c20-15(17-14-8-4-5-9-16-14)13-10-12(18-19-13)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,16,17,20)

InChIKey

KZRJWTXLLXLCAQ-UHFFFAOYSA-N

Compound name

3-phenyl-N-pyridin-2-yl-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.1011 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.108376	158.3
[M+Na]+	287.090318	165.3
[M-H]-	263.093824	163.0
[M+NH4]+	282.134923	170.7
[M+K]+	303.064258	159.5
[M+H-H2O]+	247.098360	147.9
[M+HCOO]-	309.099301	179.4
[M+CH3COO]-	323.114951	169.0
[M+Na-2H]-	285.075766	164.0
[M]+	264.10055142	155.3
[M]-	264.10164858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.