CID 6482779

Schembl5000665

Structural Information

Molecular Formula
C23H26N4O3
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC)OC
InChI
InChI=1S/C23H26N4O3/c1-28-19-6-4-5-17(13-19)20-15-24-16-23(25-20)27-11-9-26(10-12-27)18-7-8-21(29-2)22(14-18)30-3/h4-8,13-16H,9-12H2,1-3H3
InChIKey
BIMBVOMUCJULQI-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.2005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 202.7
[M+Na]+ 429.18972 208.6
[M-H]- 405.19322 209.1
[M+NH4]+ 424.23432 206.7
[M+K]+ 445.16366 202.6
[M+H-H2O]+ 389.19776 187.9
[M+HCOO]- 451.19870 216.6
[M+CH3COO]- 465.21435 209.7
[M+Na-2H]- 427.17517 203.8
[M]+ 406.19995 202.6
[M]- 406.20105 202.6
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