CID 201940

4-(3-phenyl-3-piperidinopropyl)morpholine dihydrochloride

Structural Information

Molecular Formula
C18H28N2O
SMILES
C1CCN(CC1)C(CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H28N2O/c1-3-7-17(8-4-1)18(20-10-5-2-6-11-20)9-12-19-13-15-21-16-14-19/h1,3-4,7-8,18H,2,5-6,9-16H2
InChIKey
IBQMNLTZZPBZCS-UHFFFAOYSA-N
Compound name
4-(3-phenyl-3-piperidin-1-ylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 172.3
[M+Na]+ 311.209368 171.9
[M-H]- 287.212874 176.7
[M+NH4]+ 306.253973 182.1
[M+K]+ 327.183308 169.2
[M+H-H2O]+ 271.217410 160.9
[M+HCOO]- 333.218351 183.5
[M+CH3COO]- 347.234001 179.6
[M+Na-2H]- 309.194816 173.8
[M]+ 288.21960142 163.6
[M]- 288.22069858 163.6
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.