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

0
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

literature stripe

Patent stripe

patents stripe