CID 3044989

1-piperazineethanol, 4-(o-methoxyphenyl)-alpha-(3-pyridyl)-

Structural Information

Molecular Formula
C18H23N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(C3=CN=CC=C3)O
InChI
InChI=1S/C18H23N3O2/c1-23-18-7-3-2-6-16(18)21-11-9-20(10-12-21)14-17(22)15-5-4-8-19-13-15/h2-8,13,17,22H,9-12,14H2,1H3
InChIKey
YMSKHVRNJNNIMI-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.9
[M+Na]+ 336.16824 190.4
[M+NH4]+ 331.21284 183.7
[M+K]+ 352.14218 183.1
[M-H]- 312.17174 180.9
[M+Na-2H]- 334.15369 185.2
[M]+ 313.17847 179.8
[M]- 313.17957 179.8
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