CID 6482892

Schembl4997085

Structural Information

Molecular Formula
C22H19FN4S
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C22H19FN4S/c23-18-6-2-3-7-20(18)26-9-11-27(12-10-26)22-14-24-13-19(25-22)17-15-28-21-8-4-1-5-16(17)21/h1-8,13-15H,9-12H2
InChIKey
RAVPEHMYQONJBU-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.13144 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13872 190.9
[M+Na]+ 413.12066 200.7
[M-H]- 389.12416 198.1
[M+NH4]+ 408.16526 199.8
[M+K]+ 429.09460 191.4
[M+H-H2O]+ 373.12870 178.4
[M+HCOO]- 435.12964 201.9
[M+CH3COO]- 449.14529 199.5
[M+Na-2H]- 411.10611 191.0
[M]+ 390.13089 189.2
[M]- 390.13199 189.2
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.