CID 61950710

1-(4-chlorophenyl)-3,4-dimethyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₁H₁₂ClN₃

SMILES

CC1=C(N(N=C1C)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C11H12ClN3/c1-7-8(2)14-15(11(7)13)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3

InChIKey

MYQDVQRVMNQDBF-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.07198 Da
Monoisotopic Mass: 2.9
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]+	222.079256	148.3
[M+Na]+	244.061198	159.9
[M-H]-	220.064704	152.9
[M+NH4]+	239.105803	166.9
[M+K]+	260.035138	154.3
[M+H-H2O]+	204.069240	141.0
[M+HCOO]-	266.070181	167.5
[M+CH3COO]-	280.085831	161.8
[M+Na-2H]-	242.046646	151.3
[M]+	221.07143142	150.0
[M]-	221.07252858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe