CID 470993

Wr-268379

Structural Information

Molecular Formula
C23H37N3O3
SMILES
CCCCCCOC1=C(C=C(C2=C1C=C(C(=N2)OC)C)NC(C)CCCN)OC
InChI
InChI=1S/C23H37N3O3/c1-6-7-8-9-13-29-22-18-14-16(2)23(28-5)26-21(18)19(15-20(22)27-4)25-17(3)11-10-12-24/h14-15,17,25H,6-13,24H2,1-5H3
InChIKey
SFBYZVIXUCMKSN-UHFFFAOYSA-N
Compound name
4-N-(5-hexoxy-2,6-dimethoxy-3-methylquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.28348 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.29076 204.7
[M+Na]+ 426.27270 209.4
[M-H]- 402.27620 206.5
[M+NH4]+ 421.31730 215.2
[M+K]+ 442.24664 205.6
[M+H-H2O]+ 386.28074 195.1
[M+HCOO]- 448.28168 223.8
[M+CH3COO]- 462.29733 235.7
[M+Na-2H]- 424.25815 203.8
[M]+ 403.28293 211.9
[M]- 403.28403 211.9
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.