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]+ 348.23218 188.9
[M+Na]+ 370.21412 192.0
[M-H]- 346.21762 197.7
[M+NH4]+ 365.25872 203.6
[M+K]+ 386.18806 185.8
[M+H-H2O]+ 330.22216 178.3
[M+HCOO]- 392.22310 204.1
[M+CH3COO]- 406.23875 197.3
[M+Na-2H]- 368.19957 186.9
[M]+ 347.22435 181.9
[M]- 347.22545 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.