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 187.7
[M+Na]+ 366.25158 187.7
[M-H]- 342.25508 189.6
[M+NH4]+ 361.29618 195.6
[M+K]+ 382.22552 183.1
[M+H-H2O]+ 326.25962 174.6
[M+HCOO]- 388.26056 193.9
[M+CH3COO]- 402.27621 192.9
[M+Na-2H]- 364.23703 188.7
[M]+ 343.26181 179.4
[M]- 343.26291 179.4
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.