CID 3058263

Brn 5147259

Structural Information

Molecular Formula
C20H20Cl2N2O3
SMILES
CCCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H20Cl2N2O3/c1-3-6-18(25)23-12-19(26)24(2)17-10-9-13(21)11-15(17)20(27)14-7-4-5-8-16(14)22/h4-5,7-11H,3,6,12H2,1-2H3,(H,23,25)
InChIKey
NNEARLCHOMPTMO-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.08508 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09236 193.5
[M+Na]+ 429.07430 199.8
[M-H]- 405.07780 200.7
[M+NH4]+ 424.11890 205.6
[M+K]+ 445.04824 194.6
[M+H-H2O]+ 389.08234 186.5
[M+HCOO]- 451.08328 207.2
[M+CH3COO]- 465.09893 229.2
[M+Na-2H]- 427.05975 191.7
[M]+ 406.08453 199.9
[M]- 406.08563 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.