CID 505349

N-[(3,4-dichlorophenyl)methyl]-n-[3-(dimethylcarbamoyl)phenyl]-n',n'-dimethyl-2-(pyrimidine-2-carbonyl)propanediamide

Structural Information

Molecular Formula
C26H25Cl2N5O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(C(=O)C3=NC=CC=N3)C(=O)N(C)C
InChI
InChI=1S/C26H25Cl2N5O4/c1-31(2)24(35)17-7-5-8-18(14-17)33(15-16-9-10-19(27)20(28)13-16)26(37)21(25(36)32(3)4)22(34)23-29-11-6-12-30-23/h5-14,21H,15H2,1-4H3
InChIKey
CMKRKVNIZPHFLD-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-N',N'-dimethyl-2-(pyrimidine-2-carbonyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.12836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.13564 219.8
[M+Na]+ 564.11758 223.2
[M-H]- 540.12108 229.9
[M+NH4]+ 559.16218 223.7
[M+K]+ 580.09152 221.2
[M+H-H2O]+ 524.12562 209.0
[M+HCOO]- 586.12656 230.9
[M+CH3COO]- 600.14221 260.9
[M+Na-2H]- 562.10303 216.7
[M]+ 541.12781 228.6
[M]- 541.12891 228.6
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.