CID 380337

8-(6-fluorohexyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane hydrochloride

Structural Information

Molecular Formula
C20H30FN3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCCCCF)C3=CC=CC=C3
InChI
InChI=1S/C20H30FN3O/c1-22-17-24(18-9-5-4-6-10-18)20(19(22)25)11-15-23(16-12-20)14-8-3-2-7-13-21/h4-6,9-10H,2-3,7-8,11-17H2,1H3
InChIKey
RDUKHMZMKUMTGI-UHFFFAOYSA-N
Compound name
8-(6-fluorohexyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2373 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24458 187.6
[M+Na]+ 370.22652 192.4
[M-H]- 346.23002 189.4
[M+NH4]+ 365.27112 200.5
[M+K]+ 386.20046 186.5
[M+H-H2O]+ 330.23456 175.8
[M+HCOO]- 392.23550 200.1
[M+CH3COO]- 406.25115 212.5
[M+Na-2H]- 368.21197 185.6
[M]+ 347.23675 183.0
[M]- 347.23785 183.0
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.