CID 6482831

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

Structural Information

Molecular Formula
C22H21F3N4O
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N4O/c1-30-20-5-3-2-4-19(20)28-10-12-29(13-11-28)21-15-26-14-18(27-21)16-6-8-17(9-7-16)22(23,24)25/h2-9,14-15H,10-13H2,1H3
InChIKey
LFIQYWXNGGRQPP-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.16675 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17403 203.0
[M+Na]+ 437.15597 209.7
[M-H]- 413.15947 205.5
[M+NH4]+ 432.20057 206.7
[M+K]+ 453.12991 201.2
[M+H-H2O]+ 397.16401 186.3
[M+HCOO]- 459.16495 212.1
[M+CH3COO]- 473.18060 208.8
[M+Na-2H]- 435.14142 204.2
[M]+ 414.16620 196.0
[M]- 414.16730 196.0
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.