CID 3049171

3-amino-1-(3-(3-aminophenoxy)-2-hydroxypropyl)pyridinium chloride dihydrochloride

Structural Information

Molecular Formula
C14H18N3O2
SMILES
C1=CC(=CC(=C1)OCC(C[N+]2=CC=CC(=C2)N)O)N
InChI
InChI=1S/C14H18N3O2/c15-11-3-1-5-14(7-11)19-10-13(18)9-17-6-2-4-12(16)8-17/h1-8,13,18H,9-10,15-16H2/q+1
InChIKey
JMSLSTOBKGTJAK-UHFFFAOYSA-N
Compound name
1-(3-aminophenoxy)-3-(3-aminopyridin-1-ium-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1399 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14718 157.7
[M+Na]+ 283.12912 171.2
[M+NH4]+ 278.17372 165.7
[M+K]+ 299.10306 166.2
[M-H]- 259.13262 163.3
[M+Na-2H]- 281.11457 166.2
[M]+ 260.13935 161.3
[M]- 260.14045 161.3
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.