CID 6482896

2-(3-furyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C19H17F3N4O
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C19H17F3N4O/c20-19(21,22)15-2-1-3-16(10-15)25-5-7-26(8-6-25)18-12-23-11-17(24-18)14-4-9-27-13-14/h1-4,9-13H,5-8H2
InChIKey
FACIKCXJGFUBFP-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.13544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14272 187.3
[M+Na]+ 397.12466 194.6
[M-H]- 373.12816 191.1
[M+NH4]+ 392.16926 193.3
[M+K]+ 413.09860 188.4
[M+H-H2O]+ 357.13270 172.3
[M+HCOO]- 419.13364 197.8
[M+CH3COO]- 433.14929 194.9
[M+Na-2H]- 395.11011 188.1
[M]+ 374.13489 180.7
[M]- 374.13599 180.7
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

No patent data available for this compound.