CID 505297

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

Structural Information

Molecular Formula
C23H20Cl3N5O3
SMILES
CN(C)C(=O)NC1=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/C23H20Cl3N5O3/c1-30(2)23(34)29-19-7-5-15(11-18(19)26)31(13-14-4-6-16(24)17(25)10-14)21(33)12-20(32)22-27-8-3-9-28-22/h3-11H,12-13H2,1-2H3,(H,29,34)
InChIKey
MDUJLIOCGUFXAD-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(dimethylcarbamoylamino)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

519.0632 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.07048 213.9
[M+Na]+ 542.05242 219.7
[M-H]- 518.05592 221.7
[M+NH4]+ 537.09702 219.0
[M+K]+ 558.02636 215.1
[M+H-H2O]+ 502.06046 203.7
[M+HCOO]- 564.06140 221.4
[M+CH3COO]- 578.07705 251.0
[M+Na-2H]- 540.03787 212.6
[M]+ 519.06265 221.5
[M]- 519.06375 221.5
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.