CID 3049174

64511-94-0

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1=CC(=CC(=C1)OCC(CN2C=CC(=N)C=C2)O)N
InChI
InChI=1S/C14H17N3O2/c15-11-4-6-17(7-5-11)9-13(18)10-19-14-3-1-2-12(16)8-14/h1-8,13,15,18H,9-10,16H2
InChIKey
HYIIYMFHOBGEBU-UHFFFAOYSA-N
Compound name
1-(3-aminophenoxy)-3-(4-iminopyridin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.5
[M+Na]+ 282.12130 171.3
[M+NH4]+ 277.16590 166.2
[M+K]+ 298.09524 165.3
[M-H]- 258.12480 163.2
[M+Na-2H]- 280.10675 167.1
[M]+ 259.13153 162.0
[M]- 259.13263 162.0
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.