CID 6482901

Schembl4997671

Structural Information

Molecular Formula
C21H23N5O
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C21H23N5O/c1-2-27-19-5-3-17(4-6-19)20-15-23-16-21(24-20)26-13-11-25(12-14-26)18-7-9-22-10-8-18/h3-10,15-16H,2,11-14H2,1H3
InChIKey
QOLJLPCYVARRJM-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.19025 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19753 191.5
[M+Na]+ 384.17947 196.9
[M-H]- 360.18297 195.9
[M+NH4]+ 379.22407 195.5
[M+K]+ 400.15341 189.2
[M+H-H2O]+ 344.18751 176.3
[M+HCOO]- 406.18845 204.3
[M+CH3COO]- 420.20410 198.2
[M+Na-2H]- 382.16492 195.1
[M]+ 361.18970 187.6
[M]- 361.19080 187.6
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