CID 205769

Pyrocatechol, 4-(2-((4-amino-3-pyridyl)amino)ethyl)-, dihydrobromide

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1=CC(=C(C=C1CCNC2=C(C=CN=C2)N)O)O
InChI
InChI=1S/C13H15N3O2/c14-10-4-5-15-8-11(10)16-6-3-9-1-2-12(17)13(18)7-9/h1-2,4-5,7-8,16-18H,3,6H2,(H2,14,15)
InChIKey
RYEMLVABITVTCP-UHFFFAOYSA-N
Compound name
4-[2-[(4-aminopyridin-3-yl)amino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 155.8
[M+Na]+ 268.10564 167.9
[M+NH4]+ 263.15024 162.7
[M+K]+ 284.07958 161.9
[M-H]- 244.10914 159.5
[M+Na-2H]- 266.09109 163.3
[M]+ 245.11587 158.3
[M]- 245.11697 158.3
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.