CID 209325

Pyrazole, 3-methyl-4-(methylamino)-1-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=NN(C=C1NC)C2=CC=CC=C2

InChI

InChI=1S/C11H13N3/c1-9-11(12-2)8-14(13-9)10-6-4-3-5-7-10/h3-8,12H,1-2H3

InChIKey

XSSYQASBFGMJRY-UHFFFAOYSA-N

Compound name

N,3-dimethyl-1-phenylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.11095 Da
Monoisotopic Mass: 2.3
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]+	188.11823	141.0
[M+Na]+	210.10017	154.6
[M+NH4]+	205.14477	149.7
[M+K]+	226.07411	149.2
[M-H]-	186.10367	144.9
[M+Na-2H]-	208.08562	150.0
[M]+	187.11040	144.0
[M]-	187.11150	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe