CID 380343

1,3,8-triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-3-sec-butyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C26H34FN3OS
SMILES
CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C26H34FN3OS/c1-3-21(2)29-20-30(23-8-5-4-6-9-23)26(25(29)31)14-17-28(18-15-26)16-7-19-32-24-12-10-22(27)11-13-24/h4-6,8-13,21H,3,7,14-20H2,1-2H3
InChIKey
DVXOLMIHFBKPRK-UHFFFAOYSA-N
Compound name
3-butan-2-yl-8-[3-(4-fluorophenyl)sulfanylpropyl]-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

455.24066 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.24794 212.5
[M+Na]+ 478.22988 223.7
[M+NH4]+ 473.27448 220.3
[M+K]+ 494.20382 212.9
[M-H]- 454.23338 216.5
[M+Na-2H]- 476.21533 219.3
[M]+ 455.24011 215.7
[M]- 455.24121 215.7
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.