CID 456585

Nsc305835

Structural Information

Molecular Formula
C17H25N3O
SMILES
CC1=C2C=C(C=C(C2=NC=C1)NCCCCC(C)N)OC
InChI
InChI=1S/C17H25N3O/c1-12-7-9-20-17-15(12)10-14(21-3)11-16(17)19-8-5-4-6-13(2)18/h7,9-11,13,19H,4-6,8,18H2,1-3H3
InChIKey
WFYBERHZPRRRJA-UHFFFAOYSA-N
Compound name
1-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 171.1
[M+Na]+ 310.18899 177.1
[M-H]- 286.19249 173.4
[M+NH4]+ 305.23359 186.1
[M+K]+ 326.16293 173.1
[M+H-H2O]+ 270.19703 162.7
[M+HCOO]- 332.19797 192.1
[M+CH3COO]- 346.21362 211.1
[M+Na-2H]- 308.17444 174.7
[M]+ 287.19922 172.6
[M]- 287.20032 172.6
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.