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 187.8
[M+Na]+ 368.23086 192.4
[M-H]- 344.23436 191.4
[M+NH4]+ 363.27546 201.1
[M+K]+ 384.20480 190.0
[M+H-H2O]+ 328.23890 178.3
[M+HCOO]- 390.23984 209.0
[M+CH3COO]- 404.25549 226.0
[M+Na-2H]- 366.21631 190.1
[M]+ 345.24109 194.0
[M]- 345.24219 194.0
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

No patent data available for this compound.