CID 6482898

Schembl4996860

Structural Information

Molecular Formula
C23H27N5
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C23H27N5/c1-23(2,3)19-6-4-18(5-7-19)21-16-25-17-22(26-21)28-14-12-27(13-15-28)20-8-10-24-11-9-20/h4-11,16-17H,12-15H2,1-3H3
InChIKey
LUWONQXTOZCOPA-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.22665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23393 198.6
[M+Na]+ 396.21587 203.8
[M-H]- 372.21937 203.1
[M+NH4]+ 391.26047 202.5
[M+K]+ 412.18981 195.6
[M+H-H2O]+ 356.22391 183.9
[M+HCOO]- 418.22485 209.0
[M+CH3COO]- 432.24050 204.8
[M+Na-2H]- 394.20132 201.9
[M]+ 373.22610 193.5
[M]- 373.22720 193.5
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.