CID 6483175

Schembl4997176

Structural Information

Molecular Formula
C22H23N3S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3S/c1-26-20-9-7-19(8-10-20)21-15-23-16-22(24-21)25-13-11-18(12-14-25)17-5-3-2-4-6-17/h2-10,15-16,18H,11-14H2,1H3
InChIKey
XSSZXSVFEZGAJX-UHFFFAOYSA-N
Compound name
2-(4-methylsulfanylphenyl)-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

361.16125 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16853 186.7
[M+Na]+ 384.15047 192.9
[M-H]- 360.15397 194.1
[M+NH4]+ 379.19507 194.9
[M+K]+ 400.12441 184.6
[M+H-H2O]+ 344.15851 174.5
[M+HCOO]- 406.15945 197.8
[M+CH3COO]- 420.17510 194.8
[M+Na-2H]- 382.13592 187.5
[M]+ 361.16070 183.5
[M]- 361.16180 183.5
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.