CID 6483148

Schembl4991352

Structural Information

Molecular Formula
C22H26N6
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=NC=CN=C4
InChI
InChI=1S/C22H26N6/c1-22(2,3)18-6-4-17(5-7-18)19-14-24-16-21(26-19)28-12-10-27(11-13-28)20-15-23-8-9-25-20/h4-9,14-16H,10-13H2,1-3H3
InChIKey
QZRPXLYBKLZABW-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.2219 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22918 199.6
[M+Na]+ 397.21112 205.3
[M-H]- 373.21462 202.9
[M+NH4]+ 392.25572 202.1
[M+K]+ 413.18506 196.7
[M+H-H2O]+ 357.21916 184.5
[M+HCOO]- 419.22010 208.8
[M+CH3COO]- 433.23575 205.4
[M+Na-2H]- 395.19657 203.4
[M]+ 374.22135 194.6
[M]- 374.22245 194.6
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