CID 203030

13694-52-5

Structural Information

Molecular Formula
C18H23N3O
SMILES
COC(CN1CCN(CC1)C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O/c1-22-18(16-5-3-2-4-6-16)15-20-11-13-21(14-12-20)17-7-9-19-10-8-17/h2-10,18H,11-15H2,1H3
InChIKey
FQLDDSDWVYEZHL-UHFFFAOYSA-N
Compound name
1-(2-methoxy-2-phenylethyl)-4-pyridin-4-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 172.7
[M+Na]+ 320.17332 176.2
[M-H]- 296.17682 176.5
[M+NH4]+ 315.21792 182.4
[M+K]+ 336.14726 171.4
[M+H-H2O]+ 280.18136 160.6
[M+HCOO]- 342.18230 187.6
[M+CH3COO]- 356.19795 181.1
[M+Na-2H]- 318.15877 176.2
[M]+ 297.18355 168.6
[M]- 297.18465 168.6
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.