CID 4608600

618092-78-7

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃

SMILES

CC1=CC=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3/c1-11-4-2-3-5-14(11)15-10-16(18)20(19-15)13-8-6-12(17)7-9-13/h2-10H,18H2,1H3

InChIKey

PUTKIUGNPCGRAL-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(2-methylphenyl)pyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.08762 Da
Monoisotopic Mass: 4.2
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]+	284.094896	165.5
[M+Na]+	306.076838	176.1
[M-H]-	282.080344	172.8
[M+NH4]+	301.121443	180.9
[M+K]+	322.050778	168.7
[M+H-H2O]+	266.084880	156.3
[M+HCOO]-	328.085821	184.3
[M+CH3COO]-	342.101471	177.6
[M+Na-2H]-	304.062286	168.0
[M]+	283.08707142	166.5
[M]-	283.08816858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.