CID 43005

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

Structural Information

Molecular Formula
C17H29N2O
SMILES
CC[N+](CC)(CC)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C17H28N2O/c1-7-19(8-2,9-3)12-16(20)18-17-14(5)10-13(4)11-15(17)6/h10-11H,7-9,12H2,1-6H3/p+1
InChIKey
RMIMOGUETLLFGX-UHFFFAOYSA-O
Compound name
triethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

277.228 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.23528 167.2
[M+Na]+ 300.21722 173.1
[M-H]- 276.22072 172.4
[M+NH4]+ 295.26182 184.3
[M+K]+ 316.19116 165.3
[M+H-H2O]+ 260.22526 163.4
[M+HCOO]- 322.22620 190.0
[M+CH3COO]- 336.24185 206.0
[M+Na-2H]- 298.20267 172.2
[M]+ 277.22745 169.3
[M]- 277.22855 169.3
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

patents stripe