CID 6482812

Schembl4996131

Structural Information

Molecular Formula
C27H28N4O3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=CN=CC(=N3)N4CCN(CC4)C5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C27H28N4O3/c1-32-23-8-6-19-14-21(5-4-20(19)15-23)24-17-28-18-27(29-24)31-12-10-30(11-13-31)22-7-9-25(33-2)26(16-22)34-3/h4-9,14-18H,10-13H2,1-3H3
InChIKey
LLJPNDMGJAYNRH-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(6-methoxynaphthalen-2-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

456.21616 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22344 217.6
[M+Na]+ 479.20538 223.5
[M-H]- 455.20888 224.6
[M+NH4]+ 474.24998 220.2
[M+K]+ 495.17932 216.2
[M+H-H2O]+ 439.21342 201.6
[M+HCOO]- 501.21436 229.3
[M+CH3COO]- 515.23001 223.4
[M+Na-2H]- 477.19083 218.6
[M]+ 456.21561 217.4
[M]- 456.21671 217.4
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