CID 15954084

4-ethyl-5-cyclopentyloxy-6-methoxy-8-aminoquinoline

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1=C2C(=C(C=C(C2=NC=C1)N)OC)OC3CCCC3
InChI
InChI=1S/C17H22N2O2/c1-3-11-8-9-19-16-13(18)10-14(20-2)17(15(11)16)21-12-6-4-5-7-12/h8-10,12H,3-7,18H2,1-2H3
InChIKey
GJBHZICWNBZXEK-UHFFFAOYSA-N
Compound name
5-cyclopentyloxy-4-ethyl-6-methoxyquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.7
[M+Na]+ 309.15734 174.9
[M-H]- 285.16084 173.5
[M+NH4]+ 304.20194 184.7
[M+K]+ 325.13128 170.7
[M+H-H2O]+ 269.16538 159.5
[M+HCOO]- 331.16632 188.2
[M+CH3COO]- 345.18197 204.8
[M+Na-2H]- 307.14279 169.2
[M]+ 286.16757 167.7
[M]- 286.16867 167.7
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.