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]+ 345.10005 179.3
[M+Na]+ 367.08199 185.1
[M-H]- 343.08549 187.2
[M+NH4]+ 362.12659 193.1
[M+K]+ 383.05593 181.5
[M+H-H2O]+ 327.09003 171.6
[M+HCOO]- 389.09097 198.7
[M+CH3COO]- 403.10662 218.3
[M+Na-2H]- 365.06744 179.9
[M]+ 344.09222 183.1
[M]- 344.09332 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.