CID 505343

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

Structural Information

Molecular Formula
C24H22Cl2N4O3
SMILES
CN(C)C(=O)C1=CC=CC(=C1)CN(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C24H22Cl2N4O3/c1-29(2)24(33)18-6-3-5-16(11-18)14-30(15-17-7-8-19(25)20(26)12-17)22(32)13-21(31)23-27-9-4-10-28-23/h3-12H,13-15H2,1-2H3
InChIKey
MMLUBVXQOJLHFM-UHFFFAOYSA-N
Compound name
3-[[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.1069 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11418 210.0
[M+Na]+ 507.09612 215.4
[M-H]- 483.09962 218.5
[M+NH4]+ 502.14072 216.1
[M+K]+ 523.07006 210.5
[M+H-H2O]+ 467.10416 198.8
[M+HCOO]- 529.10510 221.3
[M+CH3COO]- 543.12075 244.8
[M+Na-2H]- 505.08157 209.1
[M]+ 484.10635 217.5
[M]- 484.10745 217.5
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.