CID 42948958

2-chloro-n-(2-chloroacetyl)-n-(3,4,5-trimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C13H15Cl2NO5
SMILES
COC1=CC(=CC(=C1OC)OC)N(C(=O)CCl)C(=O)CCl
InChI
InChI=1S/C13H15Cl2NO5/c1-19-9-4-8(5-10(20-2)13(9)21-3)16(11(17)6-14)12(18)7-15/h4-5H,6-7H2,1-3H3
InChIKey
UVJJMADHHHLFOV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroacetyl)-N-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0327 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03998 167.0
[M+Na]+ 358.02192 175.8
[M-H]- 334.02542 172.1
[M+NH4]+ 353.06652 183.0
[M+K]+ 373.99586 173.6
[M+H-H2O]+ 318.02996 162.3
[M+HCOO]- 380.03090 182.1
[M+CH3COO]- 394.04655 212.1
[M+Na-2H]- 356.00737 167.7
[M]+ 335.03215 177.9
[M]- 335.03325 177.9
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.