CID 18425

Dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)ammonium bromide

Structural Information

Molecular Formula
C21H29N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CCCC2=CC=CC=C2
InChI
InChI=1S/C21H28N2O/c1-17-10-8-11-18(2)21(17)22-20(24)16-23(3,4)15-9-14-19-12-6-5-7-13-19/h5-8,10-13H,9,14-16H2,1-4H3/p+1
InChIKey
MATMDWHLPPVPFB-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.228 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23528 181.0
[M+Na]+ 348.21722 195.5
[M+NH4]+ 343.26182 190.1
[M+K]+ 364.19116 187.6
[M-H]- 324.22072 188.4
[M+Na-2H]- 346.20267 190.7
[M]+ 325.22745 185.7
[M]- 325.22855 185.7
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.