CID 210806

21672-57-1

Structural Information

Molecular Formula

C₁₂H₁₄ClN₃

SMILES

CC1=NN(C(=C1N(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C12H14ClN3/c1-9-11(15(2)3)12(13)16(14-9)10-7-5-4-6-8-10/h4-8H,1-3H3

InChIKey

HDIVUCRLJSNZHT-UHFFFAOYSA-N

Compound name

5-chloro-N,N,3-trimethyl-1-phenylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.08763 Da
Monoisotopic Mass: 3.4
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]+	236.094906	151.9
[M+Na]+	258.076848	162.2
[M-H]-	234.080354	157.9
[M+NH4]+	253.121453	170.5
[M+K]+	274.050788	158.1
[M+H-H2O]+	218.084890	143.8
[M+HCOO]-	280.085831	171.9
[M+CH3COO]-	294.101481	196.7
[M+Na-2H]-	256.062296	155.4
[M]+	235.08708142	155.8
[M]-	235.08817858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.