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 162.4
[M+Na]+ 286.20156 168.8
[M-H]- 262.20506 167.8
[M+NH4]+ 281.24616 180.1
[M+K]+ 302.17550 161.2
[M+H-H2O]+ 246.20960 158.9
[M+HCOO]- 308.21054 185.6
[M+CH3COO]- 322.22619 203.0
[M+Na-2H]- 284.18701 168.0
[M]+ 263.21179 164.2
[M]- 263.21289 164.2
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.