CID 4226230

3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O

SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H14ClN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3

InChIKey

QTQACLHBWHXSHS-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.08255 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]+	300.089826	168.3
[M+Na]+	322.071768	178.8
[M-H]-	298.075274	175.7
[M+NH4]+	317.116373	183.1
[M+K]+	338.045708	172.0
[M+H-H2O]+	282.079810	159.0
[M+HCOO]-	344.080751	187.3
[M+CH3COO]-	358.096401	180.3
[M+Na-2H]-	320.057216	170.9
[M]+	299.08200142	170.8
[M]-	299.08309858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.