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 185.0
[M+Na]+ 362.19646 186.5
[M-H]- 338.19996 193.4
[M+NH4]+ 357.24106 196.4
[M+K]+ 378.17040 178.7
[M+H-H2O]+ 322.20450 176.7
[M+HCOO]- 384.20544 202.2
[M+CH3COO]- 398.22109 207.0
[M+Na-2H]- 360.18191 190.9
[M]+ 339.20669 180.9
[M]- 339.20779 180.9
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.