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 185.5
[M+Na]+ 362.23287 190.2
[M-H]- 338.23637 193.2
[M+NH4]+ 357.27747 199.4
[M+K]+ 378.20681 180.5
[M+H-H2O]+ 322.24091 179.6
[M+HCOO]- 384.24185 207.9
[M+CH3COO]- 398.25750 216.6
[M+Na-2H]- 360.21832 190.2
[M]+ 339.24310 186.8
[M]- 339.24420 186.8
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.