CID 3050099

Brn 5183887

Structural Information

Molecular Formula
C32H44Cl2N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C32H44Cl2N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30(37)35-24-31(38)36(2)29-22-21-25(33)23-27(29)32(39)26-18-16-17-19-28(26)34/h16-19,21-23H,3-15,20,24H2,1-2H3,(H,35,37)
InChIKey
NJGUGWCVWOSOGH-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.2729 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.28018 245.7
[M+Na]+ 597.26212 255.5
[M+NH4]+ 592.30672 249.8
[M+K]+ 613.23606 245.6
[M-H]- 573.26562 248.8
[M+Na-2H]- 595.24757 248.7
[M]+ 574.27235 248.3
[M]- 574.27345 248.3
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.