CID 2526931

2-chloro-n-(((chloroacetyl)amino)(3,4-dimethoxyphenyl)methyl)acetamide

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 171.2
[M+Na]+ 357.03792 177.9
[M-H]- 333.04142 174.4
[M+NH4]+ 352.08252 185.9
[M+K]+ 373.01186 174.2
[M+H-H2O]+ 317.04596 166.2
[M+HCOO]- 379.04690 185.5
[M+CH3COO]- 393.06255 211.4
[M+Na-2H]- 355.02337 172.0
[M]+ 334.04815 177.6
[M]- 334.04925 177.6
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.