CID 117728

26095-60-3

Structural Information

Molecular Formula
C30H45N2O4
SMILES
CCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C30H44N2O4/c1-5-8-9-10-11-12-15-23-35-28-17-14-13-16-27(28)29(33)31-26-20-18-25(19-21-26)30(34)36-24-22-32(4,6-2)7-3/h13-14,16-21H,5-12,15,22-24H2,1-4H3/p+1
InChIKey
ODUGJQZZYNNHNI-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

497.33792 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.34520 228.2
[M+Na]+ 520.32714 238.8
[M+NH4]+ 515.37174 233.4
[M+K]+ 536.30108 231.3
[M-H]- 496.33064 233.0
[M+Na-2H]- 518.31259 233.6
[M]+ 497.33737 231.3
[M]- 497.33847 231.3
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.