CID 43407394

Methyl 2-[2-(2,6-dichlorophenyl)-n-methylacetamido]acetate

Structural Information

Molecular Formula
C12H13Cl2NO3
SMILES
CN(CC(=O)OC)C(=O)CC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
InChIKey
LGBOFWZQOIRSJS-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03453 159.0
[M+Na]+ 312.01647 167.6
[M-H]- 288.01997 163.7
[M+NH4]+ 307.06107 176.7
[M+K]+ 327.99041 164.2
[M+H-H2O]+ 272.02451 154.5
[M+HCOO]- 334.02545 173.8
[M+CH3COO]- 348.04110 203.9
[M+Na-2H]- 310.00192 160.4
[M]+ 289.02670 166.2
[M]- 289.02780 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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