CID 3041927

58868-52-3

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC=N2)OC
InChI
InChI=1S/C20H31N3O2/c1-6-23(7-2)13-9-10-15(3)22-17-14-18(24-4)19-16(20(17)25-5)11-8-12-21-19/h8,11-12,14-15,22H,6-7,9-10,13H2,1-5H3
InChIKey
YSPSABGVLLGFAG-UHFFFAOYSA-N
Compound name
4-N-(5,8-dimethoxyquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24164 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 186.8
[M+Na]+ 368.23086 197.7
[M+NH4]+ 363.27546 193.6
[M+K]+ 384.20480 190.4
[M-H]- 344.23436 189.9
[M+Na-2H]- 366.21631 191.4
[M]+ 345.24109 189.1
[M]- 345.24219 189.1
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.