CID 6482759

Schembl4995128

Structural Information

Molecular Formula
C22H22N4O
SMILES
CC(=O)C1=CC=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H22N4O/c1-17(27)18-6-5-7-19(14-18)21-15-23-16-22(24-21)26-12-10-25(11-13-26)20-8-3-2-4-9-20/h2-9,14-16H,10-13H2,1H3
InChIKey
GPXCCUHWVRMTFQ-UHFFFAOYSA-N
Compound name
1-[3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

358.17935 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18663 189.7
[M+Na]+ 381.16857 194.7
[M-H]- 357.17207 195.6
[M+NH4]+ 376.21317 195.2
[M+K]+ 397.14251 187.3
[M+H-H2O]+ 341.17661 175.5
[M+HCOO]- 403.17755 202.9
[M+CH3COO]- 417.19320 196.9
[M+Na-2H]- 379.15402 191.9
[M]+ 358.17880 184.6
[M]- 358.17990 184.6
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