CID 6482946

Schembl5000710

Structural Information

Molecular Formula
C21H23N5O2
SMILES
COC1=C(C=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=N4)OC
InChI
InChI=1S/C21H23N5O2/c1-27-18-7-6-16(13-19(18)28-2)17-14-22-15-21(24-17)26-11-9-25(10-12-26)20-5-3-4-8-23-20/h3-8,13-15H,9-12H2,1-2H3
InChIKey
HBFLKNSGIVPTGV-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.18518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 195.4
[M+Na]+ 400.174398 201.5
[M-H]- 376.177904 200.3
[M+NH4]+ 395.219003 199.0
[M+K]+ 416.148338 194.6
[M+H-H2O]+ 360.182440 180.3
[M+HCOO]- 422.183381 208.4
[M+CH3COO]- 436.199031 202.3
[M+Na-2H]- 398.159846 198.2
[M]+ 377.18463142 193.3
[M]- 377.18572858 193.3
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