CID 198968

3576-63-4

Structural Information

Molecular Formula
C13H17Cl2NO4
SMILES
COC1=C(C=C(C=C1)CN(CCO)C(=O)C(Cl)Cl)OC
InChI
InChI=1S/C13H17Cl2NO4/c1-19-10-4-3-9(7-11(10)20-2)8-16(5-6-17)13(18)12(14)15/h3-4,7,12,17H,5-6,8H2,1-2H3
InChIKey
GXQYCMHQLMYTTM-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.05347 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06075 167.6
[M+Na]+ 344.04269 178.6
[M+NH4]+ 339.08729 174.0
[M+K]+ 360.01663 173.3
[M-H]- 320.04619 168.1
[M+Na-2H]- 342.02814 171.7
[M]+ 321.05292 169.6
[M]- 321.05402 169.6
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.