CID 3044990

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

Structural Information

Molecular Formula
C18H23N3O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CN=CC=C3)O
InChI
InChI=1S/C18H23N3O2/c1-23-17-6-4-16(5-7-17)21-11-9-20(10-12-21)14-18(22)15-3-2-8-19-13-15/h2-8,13,18,22H,9-12,14H2,1H3
InChIKey
XWCAAAMQXXZGCU-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 176.3
[M+Na]+ 336.16824 180.1
[M-H]- 312.17174 179.2
[M+NH4]+ 331.21284 184.9
[M+K]+ 352.14218 175.2
[M+H-H2O]+ 296.17628 164.6
[M+HCOO]- 358.17722 189.9
[M+CH3COO]- 372.19287 184.2
[M+Na-2H]- 334.15369 178.6
[M]+ 313.17847 172.2
[M]- 313.17957 172.2
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.