CID 3129569

309283-45-2

Structural Information

Molecular Formula
C22H22N4OS
SMILES
C1CCN(CC1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22N4OS/c27-19(26-14-8-3-9-15-26)16-28-22-23-20(17-10-4-1-5-11-17)21(24-25-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKey
WOYRTVXSRUZDIM-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

390.15143 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15871 190.2
[M+Na]+ 413.14065 206.3
[M+NH4]+ 408.18525 197.7
[M+K]+ 429.11459 195.2
[M-H]- 389.14415 197.1
[M+Na-2H]- 411.12610 201.8
[M]+ 390.15088 195.0
[M]- 390.15198 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.