CID 6482861

Schembl4997015

Structural Information

Molecular Formula
C21H21N5O
SMILES
CC(=O)C1=CC=CC=C1C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C21H21N5O/c1-16(27)18-4-2-3-5-19(18)20-14-23-15-21(24-20)26-12-10-25(11-13-26)17-6-8-22-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKey
BCMFNKSLRRWMOW-UHFFFAOYSA-N
Compound name
1-[2-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.17462 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18190 190.2
[M+Na]+ 382.16384 195.6
[M-H]- 358.16734 194.8
[M+NH4]+ 377.20844 194.2
[M+K]+ 398.13778 187.9
[M+H-H2O]+ 342.17188 175.4
[M+HCOO]- 404.17282 202.3
[M+CH3COO]- 418.18847 196.9
[M+Na-2H]- 380.14929 192.9
[M]+ 359.17407 185.2
[M]- 359.17517 185.2
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.