CID 6483183

Schembl4996975

Structural Information

Molecular Formula
C20H17Cl2FN4
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H17Cl2FN4/c21-17-6-5-16(11-18(17)22)26-7-9-27(10-8-26)20-13-24-12-19(25-20)14-1-3-15(23)4-2-14/h1-6,11-13H,7-10H2
InChIKey
YBPJHNVDYBZLMZ-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.08142 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08870 193.4
[M+Na]+ 425.07064 202.2
[M-H]- 401.07414 197.3
[M+NH4]+ 420.11524 199.3
[M+K]+ 441.04458 192.4
[M+H-H2O]+ 385.07868 178.5
[M+HCOO]- 447.07962 197.0
[M+CH3COO]- 461.09527 200.4
[M+Na-2H]- 423.05609 194.0
[M]+ 402.08087 191.1
[M]- 402.08197 191.1
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