CID 51921

Acetanilide, 2',4'-bis(2-chloroacetamido)-

Structural Information

Molecular Formula
C12H13Cl2N3O3
SMILES
CC(=O)NC1=C(C=C(C=C1)NC(=O)CCl)NC(=O)CCl
InChI
InChI=1S/C12H13Cl2N3O3/c1-7(18)15-9-3-2-8(16-11(19)5-13)4-10(9)17-12(20)6-14/h2-4H,5-6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKey
UKQARWGWNKONIN-UHFFFAOYSA-N
Compound name
N-[4-acetamido-3-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0334 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.040676 169.3
[M+Na]+ 340.022618 175.9
[M-H]- 316.026124 172.5
[M+NH4]+ 335.067223 184.3
[M+K]+ 355.996558 171.3
[M+H-H2O]+ 300.030660 164.3
[M+HCOO]- 362.031601 184.8
[M+CH3COO]- 376.047251 210.2
[M+Na-2H]- 338.008066 170.5
[M]+ 317.03285142 172.3
[M]- 317.03394858 172.3
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.