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 231.4
[M+Na]+ 520.32714 231.0
[M-H]- 496.33064 237.0
[M+NH4]+ 515.37174 237.8
[M+K]+ 536.30108 221.5
[M+H-H2O]+ 480.33518 223.0
[M+HCOO]- 542.33612 250.6
[M+CH3COO]- 556.35177 244.0
[M+Na-2H]- 518.31259 231.9
[M]+ 497.33737 237.5
[M]- 497.33847 237.5
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.