CID 3050101

Brn 5156216

Structural Information

Molecular Formula
C23H18Cl2N2O3
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18Cl2N2O3/c1-27(21(28)14-26-23(30)15-7-3-2-4-8-15)20-12-11-16(24)13-18(20)22(29)17-9-5-6-10-19(17)25/h2-13H,14H2,1H3,(H,26,30)
InChIKey
IVIVDMNECPFHTJ-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.06946 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.07674 201.4
[M+Na]+ 463.05868 207.4
[M-H]- 439.06218 211.4
[M+NH4]+ 458.10328 211.4
[M+K]+ 479.03262 201.6
[M+H-H2O]+ 423.06672 192.8
[M+HCOO]- 485.06766 215.2
[M+CH3COO]- 499.08331 234.0
[M+Na-2H]- 461.04413 200.6
[M]+ 440.06891 206.6
[M]- 440.07001 206.6
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.