CID 245086

8-[5-(diethylamino)pentylamino]quinolin-6-ol

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCN(CC)CCCCCNC1=C2C(=CC(=C1)O)C=CC=N2
InChI
InChI=1S/C18H27N3O/c1-3-21(4-2)12-7-5-6-10-19-17-14-16(22)13-15-9-8-11-20-18(15)17/h8-9,11,13-14,19,22H,3-7,10,12H2,1-2H3
InChIKey
QCFWRPRHNQZRFT-UHFFFAOYSA-N
Compound name
8-[5-(diethylamino)pentylamino]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.21542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.222696 174.5
[M+Na]+ 324.204638 179.1
[M-H]- 300.208144 176.7
[M+NH4]+ 319.249243 188.9
[M+K]+ 340.178578 175.1
[M+H-H2O]+ 284.212680 165.6
[M+HCOO]- 346.213621 195.8
[M+CH3COO]- 360.229271 213.5
[M+Na-2H]- 322.190086 179.4
[M]+ 301.21487142 177.0
[M]- 301.21596858 177.0
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

patents stripe