CID 3059339

Brn 5141468

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19ClN2O3/c1-26(21(27)15-25-23(29)17-10-6-3-7-11-17)20-13-12-18(24)14-19(20)22(28)16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,25,29)
InChIKey
VIUNGTJYEOBFIE-UHFFFAOYSA-N
Compound name
N-[2-(2-benzoyl-4-chloro-N-methylanilino)-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.10843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 196.3
[M+Na]+ 429.09765 200.9
[M-H]- 405.10115 206.7
[M+NH4]+ 424.14225 206.7
[M+K]+ 445.07159 196.1
[M+H-H2O]+ 389.10569 186.7
[M+HCOO]- 451.10663 215.1
[M+CH3COO]- 465.12228 229.1
[M+Na-2H]- 427.08310 196.9
[M]+ 406.10788 199.3
[M]- 406.10898 199.3
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.