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 178.4
[M+Na]+ 348.18082 182.9
[M-H]- 324.18432 186.2
[M+NH4]+ 343.22542 192.3
[M+K]+ 364.15476 174.2
[M+H-H2O]+ 308.18886 172.7
[M+HCOO]- 370.18980 200.9
[M+CH3COO]- 384.20545 211.2
[M+Na-2H]- 346.16627 183.9
[M]+ 325.19105 178.6
[M]- 325.19215 178.6
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.