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

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References

0
Patents

311.0592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06648 168.1
[M+Na]+ 334.04842 181.4
[M+NH4]+ 329.09302 175.7
[M+K]+ 350.02236 176.1
[M-H]- 310.05192 170.8
[M+Na-2H]- 332.03387 175.2
[M]+ 311.05865 171.2
[M]- 311.05975 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.