CID 459674

3-[(6-methoxy-8-quinolyl)amino]propan-1-ol

Structural Information

Molecular Formula
C13H16N2O2
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCO
InChI
InChI=1S/C13H16N2O2/c1-17-11-8-10-4-2-5-15-13(10)12(9-11)14-6-3-7-16/h2,4-5,8-9,14,16H,3,6-7H2,1H3
InChIKey
SDUGJQMPIGULBY-UHFFFAOYSA-N
Compound name
3-[(6-methoxyquinolin-8-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.0
[M+Na]+ 255.11041 158.6
[M-H]- 231.11391 152.8
[M+NH4]+ 250.15501 167.9
[M+K]+ 271.08435 154.9
[M+H-H2O]+ 215.11845 143.6
[M+HCOO]- 277.11939 172.8
[M+CH3COO]- 291.13504 192.1
[M+Na-2H]- 253.09586 159.0
[M]+ 232.12064 152.7
[M]- 232.12174 152.7
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.