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 191.9
[M+Na]+ 404.17669 196.6
[M-H]- 380.18019 196.9
[M+NH4]+ 399.22129 202.8
[M+K]+ 420.15063 188.9
[M+H-H2O]+ 364.18473 181.1
[M+HCOO]- 426.18567 200.4
[M+CH3COO]- 440.20132 198.9
[M+Na-2H]- 402.16214 190.0
[M]+ 381.18692 187.0
[M]- 381.18802 187.0
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.