CID 504959

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

Structural Information

Molecular Formula
C25H29Cl2N3O4
SMILES
CC(C)(C)N(C)C(=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)29(6)24(34)21(31)14-22(32)30(15-16-7-12-19(26)20(27)13-16)18-10-8-17(9-11-18)23(33)28(4)5/h7-13H,14-15H2,1-6H3
InChIKey
DPYGANBMMKHCCC-UHFFFAOYSA-N
Compound name
N-tert-butyl-N'-[(3,4-dichlorophenyl)methyl]-N'-[4-(dimethylcarbamoyl)phenyl]-N-methyl-2-oxobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1535 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16078 216.9
[M+Na]+ 528.14272 221.0
[M-H]- 504.14622 226.8
[M+NH4]+ 523.18732 226.1
[M+K]+ 544.11666 219.3
[M+H-H2O]+ 488.15076 209.7
[M+HCOO]- 550.15170 229.3
[M+CH3COO]- 564.16735 255.9
[M+Na-2H]- 526.12817 212.6
[M]+ 505.15295 226.9
[M]- 505.15405 226.9
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.