CID 6482805

1-[3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone

Structural Information

Molecular Formula
C23H21F3N4O
SMILES
CC(=O)C1=CC=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C23H21F3N4O/c1-16(31)17-4-2-5-18(12-17)21-14-27-15-22(28-21)30-10-8-29(9-11-30)20-7-3-6-19(13-20)23(24,25)26/h2-7,12-15H,8-11H2,1H3
InChIKey
VJEDQKKEDBOXRX-UHFFFAOYSA-N
Compound name
1-[3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.16675 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17403 205.3
[M+Na]+ 449.15597 211.5
[M-H]- 425.15947 207.8
[M+NH4]+ 444.20057 208.3
[M+K]+ 465.12991 202.9
[M+H-H2O]+ 409.16401 188.8
[M+HCOO]- 471.16495 213.3
[M+CH3COO]- 485.18060 210.7
[M+Na-2H]- 447.14142 205.1
[M]+ 426.16620 197.5
[M]- 426.16730 197.5
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