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 167.6
[M+Na]+ 306.17025 181.9
[M+NH4]+ 301.21485 177.2
[M+K]+ 322.14419 174.4
[M-H]- 282.17375 175.0
[M+Na-2H]- 304.15570 178.5
[M]+ 283.18048 172.2
[M]- 283.18158 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.