CID 3058133

1-azazpiro(4.5)decane, 2-phenyl-4-(4-pyridinyl)-, dihydrochloride, cis-(+-)-

Structural Information

Molecular Formula
C20H24N2
SMILES
C1CCC2(CC1)[C@H](C[C@H](N2)C3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C20H24N2/c1-3-7-17(8-4-1)19-15-18(16-9-13-21-14-10-16)20(22-19)11-5-2-6-12-20/h1,3-4,7-10,13-14,18-19,22H,2,5-6,11-12,15H2/t18-,19+/m1/s1
InChIKey
KGJRIROUQPCEIP-MOPGFXCFSA-N
Compound name
(2S,4R)-2-phenyl-4-pyridin-4-yl-1-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 174.8
[M+Na]+ 315.18316 188.4
[M+NH4]+ 310.22776 185.7
[M+K]+ 331.15710 178.7
[M-H]- 291.18666 181.7
[M+Na-2H]- 313.16861 185.5
[M]+ 292.19339 178.9
[M]- 292.19449 178.9
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.