CID 3050098

Brn 5157491

Structural Information

Molecular Formula
C23H26Cl2N2O3
SMILES
CCCCCCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C23H26Cl2N2O3/c1-3-4-5-6-11-21(28)26-15-22(29)27(2)20-13-12-16(24)14-18(20)23(30)17-9-7-8-10-19(17)25/h7-10,12-14H,3-6,11,15H2,1-2H3,(H,26,28)
InChIKey
VFLAAOKDPAWLGL-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.13205 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13933 207.1
[M+Na]+ 471.12127 212.2
[M-H]- 447.12477 213.8
[M+NH4]+ 466.16587 217.6
[M+K]+ 487.09521 206.3
[M+H-H2O]+ 431.12931 199.5
[M+HCOO]- 493.13025 219.9
[M+CH3COO]- 507.14590 237.8
[M+Na-2H]- 469.10672 203.8
[M]+ 448.13150 214.6
[M]- 448.13260 214.6
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.