CID 21464

Allyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chloride

Structural Information

Molecular Formula
C17H27N2O
SMILES
CC[N+](CC)(CC=C)CC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C17H26N2O/c1-6-12-19(7-2,8-3)13-16(20)18-17-14(4)10-9-11-15(17)5/h6,9-11H,1,7-8,12-13H2,2-5H3/p+1
InChIKey
AFTNUUQXBXXKJR-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.21234 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21962 166.6
[M+Na]+ 298.20156 171.8
[M-H]- 274.20506 171.3
[M+NH4]+ 293.24616 183.3
[M+K]+ 314.17550 163.3
[M+H-H2O]+ 258.20960 162.6
[M+HCOO]- 320.21054 189.6
[M+CH3COO]- 334.22619 203.8
[M+Na-2H]- 296.18701 172.2
[M]+ 275.21179 167.6
[M]- 275.21289 167.6
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.