CID 3069807

85239-22-1

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CN1CCN(CC1)CC(COC2=CC=CC3=C2N=CC=C3)O
InChI
InChI=1S/C17H23N3O2/c1-19-8-10-20(11-9-19)12-15(21)13-22-16-6-2-4-14-5-3-7-18-17(14)16/h2-7,15,21H,8-13H2,1H3
InChIKey
CXCVDHLHVVJPDQ-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 173.3
[M+Na]+ 324.168238 177.7
[M-H]- 300.171744 174.0
[M+NH4]+ 319.212843 183.9
[M+K]+ 340.142178 173.0
[M+H-H2O]+ 284.176280 162.6
[M+HCOO]- 346.177221 185.8
[M+CH3COO]- 360.192871 181.3
[M+Na-2H]- 322.153686 176.8
[M]+ 301.17847142 170.3
[M]- 301.17956858 170.3
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.