CID 205767

Phenol, p-(2-((3-amino-4-pyridyl)amino)ethyl)-, dihydrobromide

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC(=CC=C1CCNC2=C(C=NC=C2)N)O
InChI
InChI=1S/C13H15N3O/c14-12-9-15-7-6-13(12)16-8-5-10-1-3-11(17)4-2-10/h1-4,6-7,9,17H,5,8,14H2,(H,15,16)
InChIKey
MGZGRFMSAOYFLF-UHFFFAOYSA-N
Compound name
4-[2-[(3-aminopyridin-4-yl)amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 150.8
[M+Na]+ 252.11072 157.6
[M-H]- 228.11422 154.6
[M+NH4]+ 247.15532 165.9
[M+K]+ 268.08466 152.9
[M+H-H2O]+ 212.11876 142.5
[M+HCOO]- 274.11970 174.4
[M+CH3COO]- 288.13535 192.8
[M+Na-2H]- 250.09617 157.5
[M]+ 229.12095 148.0
[M]- 229.12205 148.0
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.