CID 200566

Brn 0631680

Structural Information

Molecular Formula
C22H26FN3OS
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F
InChI
InChI=1S/C22H26FN3OS/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
InChIKey
FRWHAGPZSVSWSM-UHFFFAOYSA-N
Compound name
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

399.17807 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18535 194.9
[M+Na]+ 422.16729 200.5
[M-H]- 398.17079 198.8
[M+NH4]+ 417.21189 205.3
[M+K]+ 438.14123 192.3
[M+H-H2O]+ 382.17533 183.4
[M+HCOO]- 444.17627 202.3
[M+CH3COO]- 458.19192 201.6
[M+Na-2H]- 420.15274 191.8
[M]+ 399.17752 189.5
[M]- 399.17862 189.5
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.