CID 201933

Brn 0630465

Structural Information

Molecular Formula
C22H27N3OS
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=CC=C4
InChI
InChI=1S/C22H27N3OS/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26)
InChIKey
BLOQBDJJVIGGNX-UHFFFAOYSA-N
Compound name
1-phenyl-8-(3-phenylsulfanylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18747 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 191.5
[M+Na]+ 404.17669 203.9
[M+NH4]+ 399.22129 200.7
[M+K]+ 420.15063 192.9
[M-H]- 380.18019 196.9
[M+Na-2H]- 402.16214 200.4
[M]+ 381.18692 195.4
[M]- 381.18802 195.4
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.