CID 13222860

Ammonium, diethylmethyl(2-(p-(5-(octylcarbamoyl)-2-(octyloxy)benzamido)benzamido)ethyl)-, iodide

Structural Information

Molecular Formula
C38H61N4O4
SMILES
CCCCCCCCNC(=O)C1=CC(=C(C=C1)OCCCCCCCC)C(=O)NC2=CC=C(C=C2)C(=O)NCC[N+](C)(CC)CC
InChI
InChI=1S/C38H60N4O4/c1-6-10-12-14-16-18-26-39-37(44)32-22-25-35(46-29-19-17-15-13-11-7-2)34(30-32)38(45)41-33-23-20-31(21-24-33)36(43)40-27-28-42(5,8-3)9-4/h20-25,30H,6-19,26-29H2,1-5H3,(H2-,39,40,41,43,44,45)/p+1
InChIKey
LHDFONMZVILFPT-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[[4-[[2-octoxy-5-(octylcarbamoyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.4693 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.47658 267.2
[M+Na]+ 660.45852 273.4
[M+NH4]+ 655.50312 242.5
[M+K]+ 676.43246 266.0
[M-H]- 636.46202 271.6
[M+Na-2H]- 658.44397 269.4
[M]+ 637.46875 269.2
[M]- 637.46985 269.2
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.