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]+ 293.201216 172.8
[M+Na]+ 315.183158 176.5
[M-H]- 291.186664 179.0
[M+NH4]+ 310.227763 187.6
[M+K]+ 331.157098 169.6
[M+H-H2O]+ 275.191200 161.7
[M+HCOO]- 337.192141 187.2
[M+CH3COO]- 351.207791 181.4
[M+Na-2H]- 313.168606 174.3
[M]+ 292.19339142 162.7
[M]- 292.19448858 162.7
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.