CID 31930

3,9-diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-morpholinopropyl)-, hydrochloride, hydrate (1:3:3)

Structural Information

Molecular Formula
C21H33N3O
SMILES
CC(CN1C2CCCC1CN(C2)CC3=CC=CC=C3)N4CCOCC4
InChI
InChI=1S/C21H33N3O/c1-18(23-10-12-25-13-11-23)14-24-20-8-5-9-21(24)17-22(16-20)15-19-6-3-2-4-7-19/h2-4,6-7,18,20-21H,5,8-17H2,1H3
InChIKey
ISCWKRFRTJIRMS-UHFFFAOYSA-N
Compound name
4-[1-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propan-2-yl]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 189.6
[M+Na]+ 366.25158 201.2
[M+NH4]+ 361.29618 197.8
[M+K]+ 382.22552 192.9
[M-H]- 342.25508 195.1
[M+Na-2H]- 364.23703 193.3
[M]+ 343.26181 192.7
[M]- 343.26291 192.7
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.