CID 6482770

Schembl5000701

Structural Information

Molecular Formula
C24H21FN4
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H21FN4/c25-21-7-3-4-8-23(21)28-11-13-29(14-12-28)24-17-26-16-22(27-24)20-10-9-18-5-1-2-6-19(18)15-20/h1-10,15-17H,11-14H2
InChIKey
WWROYGIKGYVYGE-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.17502 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18230 197.5
[M+Na]+ 407.16424 204.0
[M-H]- 383.16774 202.8
[M+NH4]+ 402.20884 202.9
[M+K]+ 423.13818 194.1
[M+H-H2O]+ 367.17228 181.3
[M+HCOO]- 429.17322 209.0
[M+CH3COO]- 443.18887 204.0
[M+Na-2H]- 405.14969 200.7
[M]+ 384.17447 190.8
[M]- 384.17557 190.8
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.