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]+ 318.04068 169.3
[M+Na]+ 340.02262 175.9
[M-H]- 316.02612 172.5
[M+NH4]+ 335.06722 184.3
[M+K]+ 355.99656 171.3
[M+H-H2O]+ 300.03066 164.3
[M+HCOO]- 362.03160 184.8
[M+CH3COO]- 376.04725 210.2
[M+Na-2H]- 338.00807 170.5
[M]+ 317.03285 172.3
[M]- 317.03395 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.