CID 121130

4-(2-(n-benzylbenzamido)ethyl)-4-methylmorpholinium bromide

Structural Information

Molecular Formula
C21H27N2O2
SMILES
C[N+]1(CCOCC1)CCN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H27N2O2/c1-23(14-16-25-17-15-23)13-12-22(18-19-8-4-2-5-9-19)21(24)20-10-6-3-7-11-20/h2-11H,12-18H2,1H3/q+1
InChIKey
WZPOBHRIBIGBEW-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.20724 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21452 182.4
[M+Na]+ 362.19646 197.2
[M+NH4]+ 357.24106 192.9
[M+K]+ 378.17040 187.8
[M-H]- 338.19996 191.9
[M+Na-2H]- 360.18191 193.9
[M]+ 339.20669 187.8
[M]- 339.20779 187.8
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.