CID 504962

N4-(3,4-dichloro-benzyl)-n4-(4-dimethylcarbamoyl-phenyl)-n1-isobutyl-2-oxo-succinamide

Structural Information

Molecular Formula
C24H27Cl2N3O4
SMILES
CC(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/C24H27Cl2N3O4/c1-15(2)13-27-23(32)21(30)12-22(31)29(14-16-5-10-19(25)20(26)11-16)18-8-6-17(7-9-18)24(33)28(3)4/h5-11,15H,12-14H2,1-4H3,(H,27,32)
InChIKey
BMGGOHVOHHGLNX-UHFFFAOYSA-N
Compound name
N'-[(3,4-dichlorophenyl)methyl]-N'-[4-(dimethylcarbamoyl)phenyl]-N-(2-methylpropyl)-2-oxobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

491.13785 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.14513 215.2
[M+Na]+ 514.12707 218.8
[M-H]- 490.13057 223.4
[M+NH4]+ 509.17167 224.0
[M+K]+ 530.10101 215.9
[M+H-H2O]+ 474.13511 207.8
[M+HCOO]- 536.13605 227.9
[M+CH3COO]- 550.15170 251.3
[M+Na-2H]- 512.11252 209.5
[M]+ 491.13730 223.5
[M]- 491.13840 223.5
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.