CID 6482735

Schembl5003391

Structural Information

Molecular Formula
C25H30N4O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C25H30N4O/c1-25(2,3)20-11-9-19(10-12-20)21-17-26-18-24(27-21)29-15-13-28(14-16-29)22-7-5-6-8-23(22)30-4/h5-12,17-18H,13-16H2,1-4H3
InChIKey
RBHICTRLKVYQEK-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.24197 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24925 205.9
[M+Na]+ 425.23119 210.9
[M-H]- 401.23469 212.0
[M+NH4]+ 420.27579 210.2
[M+K]+ 441.20513 203.6
[M+H-H2O]+ 385.23923 191.6
[M+HCOO]- 447.24017 217.2
[M+CH3COO]- 461.25582 212.3
[M+Na-2H]- 423.21664 207.5
[M]+ 402.24142 202.8
[M]- 402.24252 202.8
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

No patent data available for this compound.