CID 3078485

121306-87-4

Structural Information

Molecular Formula

C₁₅H₁₄N₄O

SMILES

C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C15H14N4O/c20-15(18-13-7-4-9-16-11-13)19-14(8-10-17-19)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2,(H,18,20)

InChIKey

SVKSJWSEMLOAHT-UHFFFAOYSA-N

Compound name

3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 266.11676 Da
Monoisotopic Mass: 1.0
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]+	267.124036	159.9
[M+Na]+	289.105978	166.3
[M-H]-	265.109484	165.6
[M+NH4]+	284.150583	172.9
[M+K]+	305.079918	161.6
[M+H-H2O]+	249.114020	149.1
[M+HCOO]-	311.114961	181.1
[M+CH3COO]-	325.130611	170.7
[M+Na-2H]-	287.091426	164.9
[M]+	266.11621142	157.2
[M]-	266.11730858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe