CID 6482860

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

Structural Information

Molecular Formula
C27H23F3N4O
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=CN=C3)C4=CC=CC=C4OC5=CC=CC=C5
InChI
InChI=1S/C27H23F3N4O/c28-27(29,30)20-7-6-8-21(17-20)33-13-15-34(16-14-33)26-19-31-18-24(32-26)23-11-4-5-12-25(23)35-22-9-2-1-3-10-22/h1-12,17-19H,13-16H2
InChIKey
JVTOEXFVVYJFKB-UHFFFAOYSA-N
Compound name
2-(2-phenoxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

476.1824 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18968 219.2
[M+Na]+ 499.17162 224.5
[M-H]- 475.17512 223.9
[M+NH4]+ 494.21622 219.3
[M+K]+ 515.14556 214.4
[M+H-H2O]+ 459.17966 200.4
[M+HCOO]- 521.18060 227.3
[M+CH3COO]- 535.19625 223.4
[M+Na-2H]- 497.15707 220.0
[M]+ 476.18185 210.9
[M]- 476.18295 210.9
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