CID 6482913

Schembl4995524

Structural Information

Molecular Formula
C22H18F2N4S
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=CC5=CC=CC=C5S4
InChI
InChI=1S/C22H18F2N4S/c23-16-5-6-19(17(24)12-16)27-7-9-28(10-8-27)22-14-25-13-18(26-22)21-11-15-3-1-2-4-20(15)29-21/h1-6,11-14H,7-10H2
InChIKey
URBPNSABNKDPNI-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)-6-[4-(2,4-difluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.122 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12928 194.8
[M+Na]+ 431.11122 205.5
[M-H]- 407.11472 200.9
[M+NH4]+ 426.15582 203.1
[M+K]+ 447.08516 195.5
[M+H-H2O]+ 391.11926 181.4
[M+HCOO]- 453.12020 204.6
[M+CH3COO]- 467.13585 203.1
[M+Na-2H]- 429.09667 193.5
[M]+ 408.12145 192.7
[M]- 408.12255 192.7
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