CID 6483706

Schembl5131729

Structural Information

Molecular Formula
C23H23N3O
SMILES
CC(=O)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O/c1-17(27)18-7-9-21(10-8-18)22-15-24-16-23(25-22)26-13-11-20(12-14-26)19-5-3-2-4-6-19/h2-10,15-16,20H,11-14H2,1H3
InChIKey
HYQDDFYSBNFSIR-UHFFFAOYSA-N
Compound name
1-[4-[6-(4-phenylpiperidin-1-yl)pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19138 189.3
[M+Na]+ 380.17332 193.9
[M-H]- 356.17682 196.5
[M+NH4]+ 375.21792 196.2
[M+K]+ 396.14726 186.7
[M+H-H2O]+ 340.18136 175.8
[M+HCOO]- 402.18230 203.7
[M+CH3COO]- 416.19795 196.9
[M+Na-2H]- 378.15877 190.9
[M]+ 357.18355 184.0
[M]- 357.18465 184.0
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

patents stripe