CID 18222

Dimethylphenethyl((2,6-xylylcarbamoyl)methyl)ammonium bromide

Structural Information

Molecular Formula
C20H27N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CCC2=CC=CC=C2
InChI
InChI=1S/C20H26N2O/c1-16-9-8-10-17(2)20(16)21-19(23)15-22(3,4)14-13-18-11-6-5-7-12-18/h5-12H,13-15H2,1-4H3/p+1
InChIKey
BGZPIBGRIJKNLY-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.21234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21962 176.5
[M+Na]+ 334.20156 181.2
[M-H]- 310.20506 184.3
[M+NH4]+ 329.24616 191.3
[M+K]+ 350.17550 171.9
[M+H-H2O]+ 294.20960 170.9
[M+HCOO]- 356.21054 199.6
[M+CH3COO]- 370.22619 209.4
[M+Na-2H]- 332.18701 183.0
[M]+ 311.21179 176.7
[M]- 311.21289 176.7
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.