CID 505326

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

Structural Information

Molecular Formula
C22H19ClN4O4
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C22H19ClN4O4/c1-31-19-9-10-25-22(26-19)18(28)12-20(29)27(13-14-3-2-4-16(23)11-14)17-7-5-15(6-8-17)21(24)30/h2-11H,12-13H2,1H3,(H2,24,30)
InChIKey
YWSUGEZKXQEBSV-UHFFFAOYSA-N
Compound name
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

438.1095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.11678 200.7
[M+Na]+ 461.09872 206.1
[M-H]- 437.10222 208.4
[M+NH4]+ 456.14332 206.8
[M+K]+ 477.07266 201.7
[M+H-H2O]+ 421.10676 189.3
[M+HCOO]- 483.10770 216.6
[M+CH3COO]- 497.12335 235.0
[M+Na-2H]- 459.08417 201.1
[M]+ 438.10895 205.0
[M]- 438.11005 205.0
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.