CID 4490594

Vk-28

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CN(CCN1CCO)CC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C16H21N3O2/c20-11-10-18-6-8-19(9-7-18)12-13-3-4-15(21)16-14(13)2-1-5-17-16/h1-5,20-21H,6-12H2
InChIKey
XIXFNVDWEWCEOI-UHFFFAOYSA-N
Compound name
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

287.1634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.9
[M+Na]+ 310.15262 175.6
[M-H]- 286.15612 169.8
[M+NH4]+ 305.19722 180.8
[M+K]+ 326.12656 169.8
[M+H-H2O]+ 270.16066 159.8
[M+HCOO]- 332.16160 182.2
[M+CH3COO]- 346.17725 178.2
[M+Na-2H]- 308.13807 173.9
[M]+ 287.16285 165.8
[M]- 287.16395 165.8
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

No patent data available for this compound.