CID 41218

Brn 2951008

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H17ClN2O3/c1-12(22)20-11-17(23)21(2)16-9-8-14(19)10-15(16)18(24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKey
DZWRVCCGBYNOGS-UHFFFAOYSA-N
Compound name
2-acetamido-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

344.09277 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 179.3
[M+Na]+ 367.081988 185.1
[M-H]- 343.085494 187.2
[M+NH4]+ 362.126593 193.1
[M+K]+ 383.055928 181.5
[M+H-H2O]+ 327.090030 171.6
[M+HCOO]- 389.090971 198.7
[M+CH3COO]- 403.106621 218.3
[M+Na-2H]- 365.067436 179.9
[M]+ 344.09222142 183.1
[M]- 344.09331858 183.1
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.