CID 6482808

Schembl4987930

Structural Information

Molecular Formula
C21H23N5
SMILES
CC1=CC(=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4)C
InChI
InChI=1S/C21H23N5/c1-16-11-17(2)13-18(12-16)20-14-23-15-21(24-20)26-9-7-25(8-10-26)19-3-5-22-6-4-19/h3-6,11-15H,7-10H2,1-2H3
InChIKey
HBQJTJSLFOCMOC-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.19534 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20262 190.0
[M+Na]+ 368.18456 196.7
[M-H]- 344.18806 194.9
[M+NH4]+ 363.22916 195.2
[M+K]+ 384.15850 188.2
[M+H-H2O]+ 328.19260 175.3
[M+HCOO]- 390.19354 202.7
[M+CH3COO]- 404.20919 197.3
[M+Na-2H]- 366.17001 192.7
[M]+ 345.19479 185.3
[M]- 345.19589 185.3
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

No patent data available for this compound.