CID 504984

2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]benzamide

Structural Information

Molecular Formula
C22H17Cl3N4O4
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)N)Cl
InChI
InChI=1S/C22H17Cl3N4O4/c1-33-19-6-7-27-22(28-19)18(30)10-20(31)29(11-12-2-5-15(23)17(25)8-12)13-3-4-14(21(26)32)16(24)9-13/h2-9H,10-11H2,1H3,(H2,26,32)
InChIKey
BJVLSFUMZUUUML-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.03152 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.03880 207.4
[M+Na]+ 529.02074 214.9
[M-H]- 505.02424 214.0
[M+NH4]+ 524.06534 212.6
[M+K]+ 544.99468 209.7
[M+H-H2O]+ 489.02878 198.0
[M+HCOO]- 551.02972 213.3
[M+CH3COO]- 565.04537 244.5
[M+Na-2H]- 527.00619 205.2
[M]+ 506.03097 214.9
[M]- 506.03207 214.9
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.