CID 9814186

Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate

Structural Information

Molecular Formula
C11H14Cl2N2O2
SMILES
CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)N
InChI
InChI=1S/C11H14Cl2N2O2/c1-2-17-10(16)6-15-5-7-9(14)4-3-8(12)11(7)13/h3-4,15H,2,5-6,14H2,1H3
InChIKey
GXKCDDOGWWCMAO-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

276.04324 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05052 159.6
[M+Na]+ 299.03246 168.4
[M-H]- 275.03596 162.5
[M+NH4]+ 294.07706 176.9
[M+K]+ 315.00640 163.1
[M+H-H2O]+ 259.04050 155.1
[M+HCOO]- 321.04144 175.0
[M+CH3COO]- 335.05709 201.7
[M+Na-2H]- 297.01791 161.6
[M]+ 276.04269 163.5
[M]- 276.04379 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.