CID 120021

3-(1-azaspiro(4,5)decyl)-2-phenylpropiophenone hydrochloride

Structural Information

Molecular Formula
C24H29NO
SMILES
CCC(=O)C1=C(C(=CC=C1)N2CCCC23CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO/c1-2-22(26)20-13-9-14-21(23(20)19-11-5-3-6-12-19)25-18-10-17-24(25)15-7-4-8-16-24/h3,5-6,9,11-14H,2,4,7-8,10,15-18H2,1H3
InChIKey
QXISDUDAMQSNLS-UHFFFAOYSA-N
Compound name
1-[3-(1-azaspiro[4.5]decan-1-yl)-2-phenylphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2249 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.232176 188.9
[M+Na]+ 370.214118 192.0
[M-H]- 346.217624 197.7
[M+NH4]+ 365.258723 203.6
[M+K]+ 386.188058 185.8
[M+H-H2O]+ 330.222160 178.3
[M+HCOO]- 392.223101 204.1
[M+CH3COO]- 406.238751 197.3
[M+Na-2H]- 368.199566 186.9
[M]+ 347.22435142 181.9
[M]- 347.22544858 181.9
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.