CID 3050097

Brn 5156647

Structural Information

Molecular Formula
C22H24Cl2N2O3
SMILES
CCCCCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C22H24Cl2N2O3/c1-3-4-5-10-20(27)25-14-21(28)26(2)19-12-11-15(23)13-17(19)22(29)16-8-6-7-9-18(16)24/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,25,27)
InChIKey
RJQOAWQGFIKKTK-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.1164 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12368 202.6
[M+Na]+ 457.10562 208.1
[M-H]- 433.10912 209.4
[M+NH4]+ 452.15022 213.6
[M+K]+ 473.07956 202.4
[M+H-H2O]+ 417.11366 195.2
[M+HCOO]- 479.11460 215.7
[M+CH3COO]- 493.13025 235.0
[M+Na-2H]- 455.09107 199.8
[M]+ 434.11585 209.7
[M]- 434.11695 209.7
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.