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 173.3
[M+Na]+ 324.16824 177.7
[M-H]- 300.17174 174.0
[M+NH4]+ 319.21284 183.9
[M+K]+ 340.14218 173.0
[M+H-H2O]+ 284.17628 162.6
[M+HCOO]- 346.17722 185.8
[M+CH3COO]- 360.19287 181.3
[M+Na-2H]- 322.15369 176.8
[M]+ 301.17847 170.3
[M]- 301.17957 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.