CID 504961

N'-[(3,4-dichlorophenyl)methyl]-n'-[4-(dimethylcarbamoyl)phenyl]-n-(2,2-dimethylpropyl)-2-oxo-butanediamide

Structural Information

Molecular Formula
C25H29Cl2N3O4
SMILES
CC(C)(C)CNC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)N(C)C
InChI
InChI=1S/C25H29Cl2N3O4/c1-25(2,3)15-28-23(33)21(31)13-22(32)30(14-16-6-11-19(26)20(27)12-16)18-9-7-17(8-10-18)24(34)29(4)5/h6-12H,13-15H2,1-5H3,(H,28,33)
InChIKey
VQWPEODYUKEROU-UHFFFAOYSA-N
Compound name
N'-[(3,4-dichlorophenyl)methyl]-N'-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2-oxobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1535 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16078 218.8
[M+Na]+ 528.14272 222.6
[M-H]- 504.14622 227.2
[M+NH4]+ 523.18732 227.3
[M+K]+ 544.11666 219.6
[M+H-H2O]+ 488.15076 211.5
[M+HCOO]- 550.15170 230.6
[M+CH3COO]- 564.16735 252.9
[M+Na-2H]- 526.12817 214.9
[M]+ 505.15295 227.4
[M]- 505.15405 227.4
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.