CID 6482844

Schembl5000833

Structural Information

Molecular Formula
C18H16F2N4O
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C18H16F2N4O/c19-14-1-2-17(15(20)9-14)23-4-6-24(7-5-23)18-11-21-10-16(22-18)13-3-8-25-12-13/h1-3,8-12H,4-7H2
InChIKey
PLONWIWBCXLJDX-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.1292 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13648 180.1
[M+Na]+ 365.11842 188.4
[M-H]- 341.12192 185.4
[M+NH4]+ 360.16302 187.6
[M+K]+ 381.09236 182.2
[M+H-H2O]+ 325.12646 165.8
[M+HCOO]- 387.12740 193.6
[M+CH3COO]- 401.14305 188.9
[M+Na-2H]- 363.10387 180.4
[M]+ 342.12865 175.3
[M]- 342.12975 175.3
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