CID 18429

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

Structural Information

Molecular Formula
C20H25N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H24N2O2/c1-15-9-8-10-16(2)20(15)21-19(24)14-22(3,4)13-18(23)17-11-6-5-7-12-17/h5-12H,13-14H2,1-4H3/p+1
InChIKey
JSTMGWMZPRKEJK-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-phenacylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1916 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19888 178.0
[M+Na]+ 348.18082 191.8
[M+NH4]+ 343.22542 186.2
[M+K]+ 364.15476 185.6
[M-H]- 324.18432 184.4
[M+Na-2H]- 346.16627 187.0
[M]+ 325.19105 182.2
[M]- 325.19215 182.2
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.