CID 54355

84607-97-6

Structural Information

Molecular Formula
C24H34N3O3
SMILES
CC[N+](CC)(CC(=O)NC1=CC=CC=C1OC)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C24H33N3O3/c1-7-27(8-2,15-22(28)25-20-11-9-10-12-21(20)30-6)16-23(29)26-24-18(4)13-17(3)14-19(24)5/h9-14H,7-8,15-16H2,1-6H3,(H-,25,26,28,29)/p+1
InChIKey
XUQXPFKGWLEBBU-UHFFFAOYSA-O
Compound name
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.26 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.26728 203.1
[M+Na]+ 435.24922 206.6
[M-H]- 411.25272 210.8
[M+NH4]+ 430.29382 213.6
[M+K]+ 451.22316 198.0
[M+H-H2O]+ 395.25726 196.4
[M+HCOO]- 457.25820 225.3
[M+CH3COO]- 471.27385 232.0
[M+Na-2H]- 433.23467 205.9
[M]+ 412.25945 206.0
[M]- 412.26055 206.0
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.