CID 13222874

Ammonium, (2-(p-(5-(isobutylcarbamoyl)-2-octyloxybenzamido)benzamido)ethyl)triethyl-, iodide

Structural Information

Molecular Formula
C35H55N4O4
SMILES
CCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC(C)C)C(=O)NC2=CC=C(C=C2)C(=O)NCC[N+](CC)(CC)CC
InChI
InChI=1S/C35H54N4O4/c1-7-11-12-13-14-15-24-43-32-21-18-29(34(41)37-26-27(5)6)25-31(32)35(42)38-30-19-16-28(17-20-30)33(40)36-22-23-39(8-2,9-3)10-4/h16-21,25,27H,7-15,22-24,26H2,1-6H3,(H2-,36,37,38,40,41,42)/p+1
InChIKey
VISKXXYQOIBCAF-UHFFFAOYSA-O
Compound name
triethyl-[2-[[4-[[5-(2-methylpropylcarbamoyl)-2-octoxybenzoyl]amino]benzoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.4223 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.42958 253.8
[M+Na]+ 618.41152 260.3
[M+NH4]+ 613.45612 256.4
[M+K]+ 634.38546 254.5
[M-H]- 594.41502 258.2
[M+Na-2H]- 616.39697 256.4
[M]+ 595.42175 255.8
[M]- 595.42285 255.8
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.