CID 6483181

Schembl5003109

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC(=O)C1=CC=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C23H24N4O2/c1-17(28)18-5-3-6-19(13-18)22-15-24-16-23(25-22)27-11-9-26(10-12-27)20-7-4-8-21(14-20)29-2/h3-8,13-16H,9-12H2,1-2H3
InChIKey
BVURMJBGKCPDRO-UHFFFAOYSA-N
Compound name
1-[3-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 197.6
[M+Na]+ 411.17912 202.8
[M-H]- 387.18262 203.8
[M+NH4]+ 406.22372 202.0
[M+K]+ 427.15306 196.0
[M+H-H2O]+ 371.18716 183.2
[M+HCOO]- 433.18810 210.6
[M+CH3COO]- 447.20375 204.5
[M+Na-2H]- 409.16457 198.5
[M]+ 388.18935 194.5
[M]- 388.19045 194.5
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