CID 3050093

65808-66-4

Structural Information

Molecular Formula
C18H16Cl2N2O3
SMILES
CC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C18H16Cl2N2O3/c1-11(23)21-10-17(24)22(2)16-8-7-12(19)9-14(16)18(25)13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,21,23)
InChIKey
KRGTXXYCEVSDEZ-UHFFFAOYSA-N
Compound name
2-acetamido-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0538 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06108 184.2
[M+Na]+ 401.04302 191.5
[M-H]- 377.04652 191.9
[M+NH4]+ 396.08762 197.6
[M+K]+ 417.01696 186.7
[M+H-H2O]+ 361.05106 177.7
[M+HCOO]- 423.05200 198.7
[M+CH3COO]- 437.06765 223.5
[M+Na-2H]- 399.02847 183.6
[M]+ 378.05325 190.0
[M]- 378.05435 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.