CID 283965

3-benzyl-5-phenyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₆H₁₄N₂

SMILES

C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18)

InChIKey

ZLVBMDHJLBYKFG-UHFFFAOYSA-N

Compound name

5-benzyl-3-phenyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 234.11569 Da
Monoisotopic Mass: 3.8
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]+	235.12297	154.9
[M+Na]+	257.10491	170.8
[M+NH4]+	252.14951	164.1
[M+K]+	273.07885	163.4
[M-H]-	233.10841	160.7
[M+Na-2H]-	255.09036	166.6
[M]+	234.11514	159.0
[M]-	234.11624	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe