CID 6482827

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

Structural Information

Molecular Formula
C21H18ClF3N4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H18ClF3N4/c22-17-2-1-3-18(12-17)28-8-10-29(11-9-28)20-14-26-13-19(27-20)15-4-6-16(7-5-15)21(23,24)25/h1-7,12-14H,8-11H2
InChIKey
KTMJAQVKNWKEFH-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.11722 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12450 200.0
[M+Na]+ 441.10644 207.9
[M-H]- 417.10994 202.1
[M+NH4]+ 436.15104 204.5
[M+K]+ 457.08038 197.8
[M+H-H2O]+ 401.11448 183.4
[M+HCOO]- 463.11542 204.6
[M+CH3COO]- 477.13107 206.0
[M+Na-2H]- 439.09189 201.2
[M]+ 418.11667 193.7
[M]- 418.11777 193.7
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.