CID 505316

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

Structural Information

Molecular Formula
C22H18Cl2N4O4
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=CC=C2)Cl)C3=CC(=C(C=C3)C(=O)N)Cl
InChI
InChI=1S/C22H18Cl2N4O4/c1-32-19-7-8-26-22(27-19)18(29)11-20(30)28(12-13-3-2-4-14(23)9-13)15-5-6-16(21(25)31)17(24)10-15/h2-10H,11-12H2,1H3,(H2,25,31)
InChIKey
AHJOJJAPARYQNE-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3-chlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.0705 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.07778 204.5
[M+Na]+ 495.05972 211.2
[M-H]- 471.06322 212.0
[M+NH4]+ 490.10432 210.4
[M+K]+ 511.03366 206.1
[M+H-H2O]+ 455.06776 194.1
[M+HCOO]- 517.06870 215.6
[M+CH3COO]- 531.08435 239.8
[M+Na-2H]- 493.04517 203.7
[M]+ 472.06995 211.0
[M]- 472.07105 211.0
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.