CID 6483166

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

Structural Information

Molecular Formula
C25H21F3N4
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H21F3N4/c26-25(27,28)21-7-9-22(10-8-21)31-11-13-32(14-12-31)24-17-29-16-23(30-24)20-6-5-18-3-1-2-4-19(18)15-20/h1-10,15-17H,11-14H2
InChIKey
IODVWAIEMKJQNN-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.17184 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17912 210.1
[M+Na]+ 457.16106 216.7
[M-H]- 433.16456 212.8
[M+NH4]+ 452.20566 213.5
[M+K]+ 473.13500 206.2
[M+H-H2O]+ 417.16910 192.3
[M+HCOO]- 479.17004 217.3
[M+CH3COO]- 493.18569 215.0
[M+Na-2H]- 455.14651 212.2
[M]+ 434.17129 201.2
[M]- 434.17239 201.2
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