CID 55210

Ammonium, benzyldiethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)-

Structural Information

Molecular Formula
C22H31N2O
SMILES
CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C22H30N2O/c1-6-24(7-2,15-20-11-9-8-10-12-20)16-21(25)23-22-18(4)13-17(3)14-19(22)5/h8-14H,6-7,15-16H2,1-5H3/p+1
InChIKey
ZZDZKCHLALRTIB-UHFFFAOYSA-O
Compound name
benzyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.24365 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.25093 185.6
[M+Na]+ 362.23287 200.1
[M+NH4]+ 357.27747 194.4
[M+K]+ 378.20681 192.3
[M-H]- 338.23637 192.9
[M+Na-2H]- 360.21832 194.7
[M]+ 339.24310 190.3
[M]- 339.24420 190.3
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.