CID 18421

Dimethylphenethyl((phenylcarbamoyl)methyl)ammonium bromide

Structural Information

Molecular Formula
C18H23N2O
SMILES
C[N+](C)(CCC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O/c1-20(2,14-13-16-9-5-3-6-10-16)15-18(21)19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/p+1
InChIKey
ADODVMNIABCLBU-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-dimethyl-(2-phenylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.18103 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18831 167.7
[M+Na]+ 306.17025 171.4
[M-H]- 282.17375 175.0
[M+NH4]+ 301.21485 182.9
[M+K]+ 322.14419 162.4
[M+H-H2O]+ 266.17829 162.0
[M+HCOO]- 328.17923 191.5
[M+CH3COO]- 342.19488 201.2
[M+Na-2H]- 304.15570 176.5
[M]+ 283.18048 166.4
[M]- 283.18158 166.4
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.