CID 489178

2-methyl-5,7-dipyrrolidinylquinolin-8-ol

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)N3CCCC3)N4CCCC4
InChI
InChI=1S/C18H23N3O/c1-13-6-7-14-15(20-8-2-3-9-20)12-16(18(22)17(14)19-13)21-10-4-5-11-21/h6-7,12,22H,2-5,8-11H2,1H3
InChIKey
JTTCJWQPNYDRHB-UHFFFAOYSA-N
Compound name
2-methyl-5,7-dipyrrolidin-1-ylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.1841 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 172.6
[M+Na]+ 320.17332 179.0
[M-H]- 296.17682 177.8
[M+NH4]+ 315.21792 187.4
[M+K]+ 336.14726 173.3
[M+H-H2O]+ 280.18136 163.0
[M+HCOO]- 342.18230 187.3
[M+CH3COO]- 356.19795 182.2
[M+Na-2H]- 318.15877 170.2
[M]+ 297.18355 167.9
[M]- 297.18465 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.