CID 6482789

Schembl4992025

Structural Information

Molecular Formula
C24H24N4O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC=C4C(=O)C
InChI
InChI=1S/C24H24N4O2/c1-17(29)19-7-9-20(10-8-19)27-11-13-28(14-12-27)24-16-25-15-23(26-24)22-6-4-3-5-21(22)18(2)30/h3-10,15-16H,11-14H2,1-2H3
InChIKey
PVJUGAQOAPAUHO-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(2-acetylphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 199.9
[M+Na]+ 423.17912 204.7
[M-H]- 399.18262 206.1
[M+NH4]+ 418.22372 203.7
[M+K]+ 439.15306 197.6
[M+H-H2O]+ 383.18716 185.7
[M+HCOO]- 445.18810 211.9
[M+CH3COO]- 459.20375 206.4
[M+Na-2H]- 421.16457 199.4
[M]+ 400.18935 196.0
[M]- 400.19045 196.0
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.