CID 505255

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

Structural Information

Molecular Formula
C25H24Cl2N4O4
SMILES
CCOC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC(=C3)C(=O)N(C)C
InChI
InChI=1S/C25H24Cl2N4O4/c1-4-35-22-10-11-28-24(29-22)21(32)14-23(33)31(15-16-8-9-19(26)20(27)12-16)18-7-5-6-17(13-18)25(34)30(2)3/h5-13H,4,14-15H2,1-3H3
InChIKey
CJIQEQMLIMOFTF-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl-[3-(4-ethoxypyrimidin-2-yl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.11743 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.12471 216.4
[M+Na]+ 537.10665 222.0
[M-H]- 513.11015 225.2
[M+NH4]+ 532.15125 221.4
[M+K]+ 553.08059 217.9
[M+H-H2O]+ 497.11469 205.2
[M+HCOO]- 559.11563 227.6
[M+CH3COO]- 573.13128 250.9
[M+Na-2H]- 535.09210 214.5
[M]+ 514.11688 226.0
[M]- 514.11798 226.0
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.