CID 6482769

Schembl4992439

Structural Information

Molecular Formula
C18H17FN4S
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CSC=C4
InChI
InChI=1S/C18H17FN4S/c19-15-3-1-2-4-17(15)22-6-8-23(9-7-22)18-12-20-11-16(21-18)14-5-10-24-13-14/h1-5,10-13H,6-9H2
InChIKey
VDEISSHEPQGYFR-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.11578 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12306 177.3
[M+Na]+ 363.10500 185.7
[M-H]- 339.10850 183.4
[M+NH4]+ 358.14960 187.2
[M+K]+ 379.07894 178.1
[M+H-H2O]+ 323.11304 165.2
[M+HCOO]- 385.11398 188.6
[M+CH3COO]- 399.12963 186.4
[M+Na-2H]- 361.09045 176.2
[M]+ 340.11523 173.8
[M]- 340.11633 173.8
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.