CID 6482790

Schembl5003195

Structural Information

Molecular Formula
C23H24N4O
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C
InChI
InChI=1S/C23H24N4O/c1-17-4-3-5-20(14-17)22-15-24-16-23(25-22)27-12-10-26(11-13-27)21-8-6-19(7-9-21)18(2)28/h3-9,14-16H,10-13H2,1-2H3
InChIKey
MVZFIJJSINPTOE-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(3-methylphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20228 194.8
[M+Na]+ 395.18422 200.3
[M-H]- 371.18772 200.9
[M+NH4]+ 390.22882 200.0
[M+K]+ 411.15816 192.7
[M+H-H2O]+ 355.19226 180.6
[M+HCOO]- 417.19320 207.7
[M+CH3COO]- 431.20885 201.9
[M+Na-2H]- 393.16967 195.6
[M]+ 372.19445 190.4
[M]- 372.19555 190.4
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

No patent data available for this compound.