CID 114099

Dtxsid50980141

Structural Information

Molecular Formula
C13H17N3O
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCN
InChI
InChI=1S/C13H17N3O/c1-17-11-8-10-4-2-6-16-13(10)12(9-11)15-7-3-5-14/h2,4,6,8-9,15H,3,5,7,14H2,1H3
InChIKey
HXYREIXFCQCQAD-UHFFFAOYSA-N
Compound name
N'-(6-methoxyquinolin-8-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 151.3
[M+Na]+ 254.126378 158.5
[M-H]- 230.129884 153.9
[M+NH4]+ 249.170983 168.4
[M+K]+ 270.100318 154.8
[M+H-H2O]+ 214.134420 143.4
[M+HCOO]- 276.135361 174.8
[M+CH3COO]- 290.151011 197.0
[M+Na-2H]- 252.111826 159.1
[M]+ 231.13661142 151.7
[M]- 231.13770858 151.7
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

patents stripe