CID 6482836

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

Structural Information

Molecular Formula
C21H19F3N4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H19F3N4/c22-21(23,24)17-8-6-16(7-9-17)19-14-25-15-20(26-19)28-12-10-27(11-13-28)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2
InChIKey
OWUZFFZKIBNQJM-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.1562 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16348 194.6
[M+Na]+ 407.14542 200.9
[M-H]- 383.14892 196.8
[M+NH4]+ 402.19002 199.3
[M+K]+ 423.11936 192.0
[M+H-H2O]+ 367.15346 178.0
[M+HCOO]- 429.15440 203.9
[M+CH3COO]- 443.17005 200.7
[M+Na-2H]- 405.13087 197.0
[M]+ 384.15565 185.5
[M]- 384.15675 185.5
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