CID 6482944

Schembl5000827

Structural Information

Molecular Formula
C20H21N5O
SMILES
COC1=CC=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C20H21N5O/c1-26-17-6-4-5-16(13-17)18-14-21-15-20(23-18)25-11-9-24(10-12-25)19-7-2-3-8-22-19/h2-8,13-15H,9-12H2,1H3
InChIKey
WHGYFDTUPHUQJB-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.17462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 187.3
[M+Na]+ 370.16384 193.3
[M-H]- 346.16734 192.0
[M+NH4]+ 365.20844 192.0
[M+K]+ 386.13778 185.8
[M+H-H2O]+ 330.17188 172.4
[M+HCOO]- 392.17282 200.5
[M+CH3COO]- 406.18847 194.5
[M+Na-2H]- 368.14929 191.5
[M]+ 347.17407 183.2
[M]- 347.17517 183.2
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

patents stripe