CID 200017

Brn 2818469

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
CC(=O)NCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H15ClN2O3/c1-11(21)19-10-16(22)20-15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKey
QQLRBTUJCHSQFM-UHFFFAOYSA-N
Compound name
2-acetamido-N-(2-benzoyl-4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

330.07712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 175.1
[M+Na]+ 353.06634 181.2
[M-H]- 329.06984 181.7
[M+NH4]+ 348.11094 188.8
[M+K]+ 369.04028 176.5
[M+H-H2O]+ 313.07438 167.7
[M+HCOO]- 375.07532 194.3
[M+CH3COO]- 389.09097 212.1
[M+Na-2H]- 351.05179 176.9
[M]+ 330.07657 177.2
[M]- 330.07767 177.2
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.