CID 31925

23462-18-2

Structural Information

Molecular Formula
C21H33N3O
SMILES
C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4
InChI
InChI=1S/C21H33N3O/c1-2-6-19(7-3-1)16-23-17-20-8-4-9-21(18-23)24(20)11-5-10-22-12-14-25-15-13-22/h1-3,6-7,20-21H,4-5,8-18H2
InChIKey
WPXREQWVDWSFOI-UHFFFAOYSA-N
Compound name
4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.26236 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 190.3
[M+Na]+ 366.25158 202.3
[M+NH4]+ 361.29618 198.6
[M+K]+ 382.22552 193.2
[M-H]- 342.25508 196.1
[M+Na-2H]- 364.23703 194.3
[M]+ 343.26181 193.6
[M]- 343.26291 193.6
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.