CID 505302

N-[3-chloro-4-(trimethyl-ureido)-phenyl]-n-(3,4-dichloro-benzyl)-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C24H22Cl3N5O3
SMILES
CN(C)C(=O)N(C)C1=C(C=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)Cl
InChI
InChI=1S/C24H22Cl3N5O3/c1-30(2)24(35)31(3)20-8-6-16(12-19(20)27)32(14-15-5-7-17(25)18(26)11-15)22(34)13-21(33)23-28-9-4-10-29-23/h4-12H,13-14H2,1-3H3
InChIKey
RBCKEUUQECCVEG-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[dimethylcarbamoyl(methyl)amino]phenyl]-N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0788 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.08608 217.0
[M+Na]+ 556.06802 222.6
[M-H]- 532.07152 226.0
[M+NH4]+ 551.11262 222.2
[M+K]+ 572.04196 219.0
[M+H-H2O]+ 516.07606 206.6
[M+HCOO]- 578.07700 224.7
[M+CH3COO]- 592.09265 256.6
[M+Na-2H]- 554.05347 214.8
[M]+ 533.07825 226.3
[M]- 533.07935 226.3
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.