CID 6482724

Schembl4997110

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.18518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 195.4
[M+Na]+ 400.17440 201.5
[M-H]- 376.17790 200.3
[M+NH4]+ 395.21900 199.0
[M+K]+ 416.14834 194.6
[M+H-H2O]+ 360.18244 180.3
[M+HCOO]- 422.18338 208.4
[M+CH3COO]- 436.19903 202.3
[M+Na-2H]- 398.15985 198.2
[M]+ 377.18463 193.3
[M]- 377.18573 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