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 166.9
[M+Na]+ 344.04269 174.1
[M-H]- 320.04619 170.0
[M+NH4]+ 339.08729 182.5
[M+K]+ 360.01663 170.9
[M+H-H2O]+ 304.05073 162.2
[M+HCOO]- 366.05167 180.0
[M+CH3COO]- 380.06732 207.8
[M+Na-2H]- 342.02814 167.4
[M]+ 321.05292 174.8
[M]- 321.05402 174.8
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.