CID 6482739

Schembl5000907

Structural Information

Molecular Formula
C23H26N4O2
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H26N4O2/c1-3-29-19-10-8-18(9-11-19)20-16-24-17-23(25-20)27-14-12-26(13-15-27)21-6-4-5-7-22(21)28-2/h4-11,16-17H,3,12-15H2,1-2H3
InChIKey
NJQBAFIBCSOIIR-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 199.0
[M+Na]+ 413.19479 204.3
[M-H]- 389.19829 205.0
[M+NH4]+ 408.23939 203.5
[M+K]+ 429.16873 197.4
[M+H-H2O]+ 373.20283 184.3
[M+HCOO]- 435.20377 212.8
[M+CH3COO]- 449.21942 205.9
[M+Na-2H]- 411.18024 200.9
[M]+ 390.20502 197.1
[M]- 390.20612 197.1
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