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]+ 302.18630 173.5
[M+Na]+ 324.16824 186.3
[M+NH4]+ 319.21284 180.6
[M+K]+ 340.14218 179.1
[M-H]- 300.17174 176.0
[M+Na-2H]- 322.15369 179.4
[M]+ 301.17847 175.9
[M]- 301.17957 175.9
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.