CID 56805979

2,2-dichloro-n-(2,6-dimethylphenyl)-n-[(1h-pyrazol-1-yl)methyl]acetamide

Structural Information

Molecular Formula

C₁₄H₁₅Cl₂N₃O

SMILES

CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)C(Cl)Cl

InChI

InChI=1S/C14H15Cl2N3O/c1-10-5-3-6-11(2)12(10)19(14(20)13(15)16)9-18-8-4-7-17-18/h3-8,13H,9H2,1-2H3

InChIKey

PRYXJKDMFVZBOJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.0592 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]+	312.066476	169.2
[M+Na]+	334.048418	177.5
[M-H]-	310.051924	174.0
[M+NH4]+	329.093023	184.5
[M+K]+	350.022358	172.6
[M+H-H2O]+	294.056460	160.9
[M+HCOO]-	356.057401	181.7
[M+CH3COO]-	370.073051	207.9
[M+Na-2H]-	332.033866	169.3
[M]+	311.05865142	173.9
[M]-	311.05974858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.