CID 4674612

N-{1-[(2,5-dichlorophenyl)amino]-2-oxo-2-phenylethyl}-4-methoxybenzamide

Structural Information

Molecular Formula
C22H18Cl2N2O3
SMILES
COC1=CC=C(C=C1)C(=O)NC(C(=O)C2=CC=CC=C2)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2O3/c1-29-17-10-7-15(8-11-17)22(28)26-21(20(27)14-5-3-2-4-6-14)25-19-13-16(23)9-12-18(19)24/h2-13,21,25H,1H3,(H,26,28)
InChIKey
HHEQDUHMNROXTG-UHFFFAOYSA-N
Compound name
N-[1-(2,5-dichloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.06946 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07674 197.6
[M+Na]+ 451.05868 203.6
[M-H]- 427.06218 206.3
[M+NH4]+ 446.10328 207.5
[M+K]+ 467.03262 197.2
[M+H-H2O]+ 411.06672 189.3
[M+HCOO]- 473.06766 211.1
[M+CH3COO]- 487.08331 229.3
[M+Na-2H]- 449.04413 198.1
[M]+ 428.06891 202.0
[M]- 428.07001 202.0
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.