CID 50228

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

Structural Information

Molecular Formula
C16H27N2O
SMILES
CC[N+](C)(CC)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C16H26N2O/c1-7-18(6,8-2)11-15(19)17-16-13(4)9-12(3)10-14(16)5/h9-10H,7-8,11H2,1-6H3/p+1
InChIKey
WSPIHQRKKHQDNU-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.21234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.21962 163.8
[M+Na]+ 286.20156 176.7
[M+NH4]+ 281.24616 172.5
[M+K]+ 302.17550 170.8
[M-H]- 262.20506 168.5
[M+Na-2H]- 284.18701 170.3
[M]+ 263.21179 167.4
[M]- 263.21289 167.4
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.