CID 121128

4-(3-(n-benzylbenzamido)propyl)-4-methylmorpholinium bromide

Structural Information

Molecular Formula
C22H29N2O2
SMILES
C[N+]1(CCOCC1)CCCN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H29N2O2/c1-24(15-17-26-18-16-24)14-8-13-23(19-20-9-4-2-5-10-20)22(25)21-11-6-3-7-12-21/h2-7,9-12H,8,13-19H2,1H3/q+1
InChIKey
RYBKKIPPXHKZNX-UHFFFAOYSA-N
Compound name
N-benzyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2229 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.23018 189.6
[M+Na]+ 376.21212 190.6
[M-H]- 352.21562 197.8
[M+NH4]+ 371.25672 200.4
[M+K]+ 392.18606 182.6
[M+H-H2O]+ 336.22016 181.0
[M+HCOO]- 398.22110 206.4
[M+CH3COO]- 412.23675 209.9
[M+Na-2H]- 374.19757 194.9
[M]+ 353.22235 185.8
[M]- 353.22345 185.8
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.