CID 380142

Nsc665545

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C16H23N3O/c1-3-13(7-4-8-17)19-15-11-14(20-2)10-12-6-5-9-18-16(12)15/h5-6,9-11,13,19H,3-4,7-8,17H2,1-2H3
InChIKey
ZHIKCQDQMARFBP-UHFFFAOYSA-N
Compound name
4-N-(6-methoxyquinolin-8-yl)hexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 165.9
[M+Na]+ 296.17332 171.4
[M-H]- 272.17682 168.0
[M+NH4]+ 291.21792 181.2
[M+K]+ 312.14726 167.6
[M+H-H2O]+ 256.18136 157.5
[M+HCOO]- 318.18230 187.3
[M+CH3COO]- 332.19795 206.9
[M+Na-2H]- 294.15877 170.8
[M]+ 273.18355 166.7
[M]- 273.18465 166.7
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.