CID 6482652

Schembl5000676

Structural Information

Molecular Formula
C22H25N5
SMILES
CC(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C22H25N5/c1-17(2)18-3-5-19(6-4-18)21-15-24-16-22(25-21)27-13-11-26(12-14-27)20-7-9-23-10-8-20/h3-10,15-17H,11-14H2,1-2H3
InChIKey
BNCBAUFOVJFKGA-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

359.211 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21828 192.2
[M+Na]+ 382.20022 197.1
[M-H]- 358.20372 196.6
[M+NH4]+ 377.24482 196.4
[M+K]+ 398.17416 189.0
[M+H-H2O]+ 342.20826 177.3
[M+HCOO]- 404.20920 203.6
[M+CH3COO]- 418.22485 198.6
[M+Na-2H]- 380.18567 194.3
[M]+ 359.21045 186.8
[M]- 359.21155 186.8
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