CID 3039984

Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide

Structural Information

Molecular Formula
C29H43N2O4
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C29H42N2O4/c1-5-8-9-10-11-12-22-34-27-19-15-24(16-20-27)28(32)30-26-17-13-25(14-18-26)29(33)35-23-21-31(4,6-2)7-3/h13-20H,5-12,21-23H2,1-4H3/p+1
InChIKey
XQSHJVHJXQFFTM-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[(4-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

483.3223 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.32958 223.8
[M+Na]+ 506.31152 234.6
[M+NH4]+ 501.35612 229.2
[M+K]+ 522.28546 227.3
[M-H]- 482.31502 228.7
[M+Na-2H]- 504.29697 229.5
[M]+ 483.32175 226.9
[M]- 483.32285 226.9
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.