CID 2526931

61366-04-9

Structural Information

Molecular Formula
C13H16Cl2N2O4
SMILES
COC1=C(C=C(C=C1)C(NC(=O)CCl)NC(=O)CCl)OC
InChI
InChI=1S/C13H16Cl2N2O4/c1-20-9-4-3-8(5-10(9)21-2)13(16-11(18)6-14)17-12(19)7-15/h3-5,13H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKey
QXMCNDCEIVGIPL-UHFFFAOYSA-N
Compound name
2-chloro-N-[[(2-chloroacetyl)amino]-(3,4-dimethoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0487 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05598 171.4
[M+Na]+ 357.03792 181.2
[M+NH4]+ 352.08252 177.0
[M+K]+ 373.01186 176.2
[M-H]- 333.04142 171.8
[M+Na-2H]- 355.02337 174.9
[M]+ 334.04815 173.0
[M]- 334.04925 173.0
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.