CID 6483151

Schembl4991897

Structural Information

Molecular Formula
C19H19N3S
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CSC=C4
InChI
InChI=1S/C19H19N3S/c1-2-4-15(5-3-1)16-6-9-22(10-7-16)19-13-20-12-18(21-19)17-8-11-23-14-17/h1-5,8,11-14,16H,6-7,9-10H2
InChIKey
YLTRYDBYGRTZOJ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperidin-1-yl)-6-thiophen-3-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.12997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13725 174.3
[M+Na]+ 344.11919 181.3
[M-H]- 320.12269 182.6
[M+NH4]+ 339.16379 186.1
[M+K]+ 360.09313 174.4
[M+H-H2O]+ 304.12723 163.6
[M+HCOO]- 366.12817 187.7
[M+CH3COO]- 380.14382 184.0
[M+Na-2H]- 342.10464 174.1
[M]+ 321.12942 171.1
[M]- 321.13052 171.1
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

patents stripe