CID 6482868

Schembl5000702

Structural Information

Molecular Formula
C24H28N4O4
SMILES
COC1=CC(=C(C=C1)OC)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H28N4O4/c1-29-18-6-8-21(30-2)19(14-18)20-15-25-16-24(26-20)28-11-9-27(10-12-28)17-5-7-22(31-3)23(13-17)32-4/h5-8,13-16H,9-12H2,1-4H3
InChIKey
CJZNHZKJFAKTHH-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

436.21106 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.218336 210.3
[M+Na]+ 459.200278 216.3
[M-H]- 435.203784 217.0
[M+NH4]+ 454.244883 213.2
[M+K]+ 475.174218 211.0
[M+H-H2O]+ 419.208320 195.3
[M+HCOO]- 481.209261 224.0
[M+CH3COO]- 495.224911 217.0
[M+Na-2H]- 457.185726 210.3
[M]+ 436.21051142 212.3
[M]- 436.21160858 212.3
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