CID 57589

Benzyldiethyl(2-hydroxyethyl)ammonium bromide carbanilate

Structural Information

Molecular Formula
C20H27N2O2
SMILES
CC[N+](CC)(CCOC(=O)NC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C20H26N2O2/c1-3-22(4-2,17-18-11-7-5-8-12-18)15-16-24-20(23)21-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3/p+1
InChIKey
WPOGTAGQDYCSFN-UHFFFAOYSA-O
Compound name
benzyl-diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20724 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21452 179.8
[M+Na]+ 350.19646 193.2
[M+NH4]+ 345.24106 188.5
[M+K]+ 366.17040 185.8
[M-H]- 326.19996 186.6
[M+Na-2H]- 348.18191 189.7
[M]+ 327.20669 184.0
[M]- 327.20779 184.0
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.