CID 3069065

Brn 5964091

Structural Information

Molecular Formula
C20H31N3O
SMILES
CCN(CC)CCCC(C)NC1=CC2=C(C=C(N=C2C=C1)C)OC
InChI
InChI=1S/C20H31N3O/c1-6-23(7-2)12-8-9-15(3)21-17-10-11-19-18(14-17)20(24-5)13-16(4)22-19/h10-11,13-15,21H,6-9,12H2,1-5H3
InChIKey
ZWSRRWUQXCFFCT-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(4-methoxy-2-methylquinolin-6-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 184.9
[M+Na]+ 352.23592 189.7
[M-H]- 328.23942 188.5
[M+NH4]+ 347.28052 199.0
[M+K]+ 368.20986 186.6
[M+H-H2O]+ 312.24396 175.7
[M+HCOO]- 374.24490 205.9
[M+CH3COO]- 388.26055 224.0
[M+Na-2H]- 350.22137 187.1
[M]+ 329.24615 189.6
[M]- 329.24725 189.6
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

No patent data available for this compound.