CID 505253

3-[(2-benzoyl-3-oxo-3-pyrimidin-2-yl-propanoyl)-[(3,4-dichlorophenyl)methyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C30H24Cl2N4O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(C(=O)C3=CC=CC=C3)C(=O)C4=NC=CC=N4
InChI
InChI=1S/C30H24Cl2N4O4/c1-35(2)29(39)21-10-6-11-22(17-21)36(18-19-12-13-23(31)24(32)16-19)30(40)25(26(37)20-8-4-3-5-9-20)27(38)28-33-14-7-15-34-28/h3-17,25H,18H2,1-2H3
InChIKey
UAIVCXQIPPRXCL-UHFFFAOYSA-N
Compound name
3-[(2-benzoyl-3-oxo-3-pyrimidin-2-ylpropanoyl)-[(3,4-dichlorophenyl)methyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.11743 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.12471 226.8
[M+Na]+ 597.10665 229.8
[M-H]- 573.11015 237.8
[M+NH4]+ 592.15125 228.0
[M+K]+ 613.08059 225.6
[M+H-H2O]+ 557.11469 214.3
[M+HCOO]- 619.11563 235.7
[M+CH3COO]- 633.13128 260.6
[M+Na-2H]- 595.09210 224.3
[M]+ 574.11688 233.7
[M]- 574.11798 233.7
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.