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 180.8
[M+Na]+ 350.19646 183.5
[M-H]- 326.19996 187.7
[M+NH4]+ 345.24106 194.1
[M+K]+ 366.17040 174.6
[M+H-H2O]+ 310.20450 174.4
[M+HCOO]- 372.20544 204.1
[M+CH3COO]- 386.22109 208.5
[M+Na-2H]- 348.18191 188.6
[M]+ 327.20669 181.4
[M]- 327.20779 181.4
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.