CID 504965

3-[(3,4-dichloro-benzyl)-(6-methyl-3,4-dioxo-heptanoyl)-amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C24H26Cl2N2O4
SMILES
CC(C)CC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=CC(=C2)C(=O)N(C)C
InChI
InChI=1S/C24H26Cl2N2O4/c1-15(2)10-21(29)22(30)13-23(31)28(14-16-8-9-19(25)20(26)11-16)18-7-5-6-17(12-18)24(32)27(3)4/h5-9,11-12,15H,10,13-14H2,1-4H3
InChIKey
DIXRDRRXLFWZIB-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl-(6-methyl-3,4-dioxoheptanoyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.12695 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.13423 208.8
[M+Na]+ 499.11617 213.3
[M-H]- 475.11967 217.1
[M+NH4]+ 494.16077 218.5
[M+K]+ 515.09011 210.0
[M+H-H2O]+ 459.12421 201.7
[M+HCOO]- 521.12515 220.5
[M+CH3COO]- 535.14080 246.8
[M+Na-2H]- 497.10162 202.8
[M]+ 476.12640 217.9
[M]- 476.12750 217.9
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.