CID 6482904

Schembl4996046

Structural Information

Molecular Formula
C26H32N4O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C26H32N4O2/c1-26(2,3)20-8-6-19(7-9-20)22-17-27-18-25(28-22)30-14-12-29(13-15-30)21-10-11-23(31-4)24(16-21)32-5/h6-11,16-18H,12-15H2,1-5H3
InChIKey
ZPYHCWZDAYKLPG-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

432.25253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25981 213.9
[M+Na]+ 455.24175 219.1
[M-H]- 431.24525 220.2
[M+NH4]+ 450.28635 217.1
[M+K]+ 471.21569 212.4
[M+H-H2O]+ 415.24979 199.4
[M+HCOO]- 477.25073 225.0
[M+CH3COO]- 491.26638 220.0
[M+Na-2H]- 453.22720 214.3
[M]+ 432.25198 212.8
[M]- 432.25308 212.8
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.