CID 6482855

Schembl4996035

Structural Information

Molecular Formula
C24H26N4O2
SMILES
CCOC1=CC=CC=C1C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C
InChI
InChI=1S/C24H26N4O2/c1-3-30-23-7-5-4-6-21(23)22-16-25-17-24(26-22)28-14-12-27(13-15-28)20-10-8-19(9-11-20)18(2)29/h4-11,16-17H,3,12-15H2,1-2H3
InChIKey
DNXFMBUVMAYEPD-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(2-ethoxyphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.20557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 201.8
[M+Na]+ 425.19479 206.5
[M-H]- 401.19829 207.8
[M+NH4]+ 420.23939 205.6
[M+K]+ 441.16873 199.5
[M+H-H2O]+ 385.20283 187.2
[M+HCOO]- 447.20377 214.5
[M+CH3COO]- 461.21942 208.2
[M+Na-2H]- 423.18024 202.2
[M]+ 402.20502 199.0
[M]- 402.20612 199.0
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

No patent data available for this compound.