CID 3069070

Brn 5968975

Structural Information

Molecular Formula
C20H31N3O
SMILES
CCN(CC)CCCC(C)NC1=CC2=C(C(=C1)O)N=C(C=C2C)C
InChI
InChI=1S/C20H31N3O/c1-6-23(7-2)10-8-9-15(4)21-17-12-18-14(3)11-16(5)22-20(18)19(24)13-17/h11-13,15,21,24H,6-10H2,1-5H3
InChIKey
DYFBJPUOTRKBQB-UHFFFAOYSA-N
Compound name
6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.2467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 185.1
[M+Na]+ 352.23592 190.4
[M-H]- 328.23942 187.8
[M+NH4]+ 347.28052 198.9
[M+K]+ 368.20986 186.7
[M+H-H2O]+ 312.24396 176.5
[M+HCOO]- 374.24490 204.6
[M+CH3COO]- 388.26055 222.8
[M+Na-2H]- 350.22137 186.2
[M]+ 329.24615 188.5
[M]- 329.24725 188.5
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

patents stripe