CID 6482693

Schembl5000890

Structural Information

Molecular Formula
C24H28N4O3
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H28N4O3/c1-4-31-20-8-5-18(6-9-20)21-16-25-17-24(26-21)28-13-11-27(12-14-28)19-7-10-22(29-2)23(15-19)30-3/h5-10,15-17H,4,11-14H2,1-3H3
InChIKey
VCRCMDVMUQGAHF-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.21616 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 206.9
[M+Na]+ 443.20538 212.3
[M-H]- 419.20888 213.1
[M+NH4]+ 438.24998 210.3
[M+K]+ 459.17932 206.0
[M+H-H2O]+ 403.21342 191.9
[M+HCOO]- 465.21436 220.4
[M+CH3COO]- 479.23001 213.5
[M+Na-2H]- 441.19083 207.5
[M]+ 420.21561 207.0
[M]- 420.21671 207.0
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