CID 436997

Nsc406300

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CC(C)NCCCCCNC1=CC(=C(C2=C1N=CC=C2)OC3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C25H33N3O3/c1-18(2)26-14-6-5-7-15-27-22-17-23(30-4)25(21-9-8-16-28-24(21)22)31-20-12-10-19(29-3)11-13-20/h8-13,16-18,26-27H,5-7,14-15H2,1-4H3
InChIKey
QWKGZWUCKIOVBG-UHFFFAOYSA-N
Compound name
N-[6-methoxy-5-(4-methoxyphenoxy)quinolin-8-yl]-N'-propan-2-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

423.2522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 206.3
[M+Na]+ 446.24142 210.3
[M-H]- 422.24492 211.4
[M+NH4]+ 441.28602 215.2
[M+K]+ 462.21536 205.8
[M+H-H2O]+ 406.24946 195.0
[M+HCOO]- 468.25040 226.6
[M+CH3COO]- 482.26605 236.7
[M+Na-2H]- 444.22687 208.7
[M]+ 423.25165 211.9
[M]- 423.25275 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.