CID 407963

Nsc10559

Structural Information

Molecular Formula
C13H16N2O3
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCC(CO)O
InChI
InChI=1S/C13H16N2O3/c1-18-11-5-9-3-2-4-14-13(9)12(6-11)15-7-10(17)8-16/h2-6,10,15-17H,7-8H2,1H3
InChIKey
LVTSSNAUZIPOBF-UHFFFAOYSA-N
Compound name
3-[(6-methoxyquinolin-8-yl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.5
[M+Na]+ 271.10531 161.2
[M-H]- 247.10881 155.0
[M+NH4]+ 266.14991 169.9
[M+K]+ 287.07925 157.8
[M+H-H2O]+ 231.11335 147.2
[M+HCOO]- 293.11429 173.9
[M+CH3COO]- 307.12994 192.8
[M+Na-2H]- 269.09076 160.9
[M]+ 248.11554 155.2
[M]- 248.11664 155.2
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.