CID 18427

Dimethylphenacyl((phenylcarbamoyl)methyl)ammonium bromide

Structural Information

Molecular Formula
C18H21N2O2
SMILES
C[N+](C)(CC(=O)C1=CC=CC=C1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c1-20(2,13-17(21)15-9-5-3-6-10-15)14-18(22)19-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/p+1
InChIKey
AWLMXBOCRPLJTL-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-dimethyl-phenacylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16758 169.9
[M+Na]+ 320.14952 173.4
[M-H]- 296.15302 177.3
[M+NH4]+ 315.19412 184.3
[M+K]+ 336.12346 165.0
[M+H-H2O]+ 280.15756 164.2
[M+HCOO]- 342.15850 193.1
[M+CH3COO]- 356.17415 202.9
[M+Na-2H]- 318.13497 177.7
[M]+ 297.15975 168.6
[M]- 297.16085 168.6
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.