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-amino-3-pyridinyl)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]+ 246.123696 154.5
[M+Na]+ 268.105638 161.7
[M-H]- 244.109144 157.3
[M+NH4]+ 263.150243 168.5
[M+K]+ 284.079578 156.8
[M+H-H2O]+ 228.113680 146.5
[M+HCOO]- 290.114621 176.8
[M+CH3COO]- 304.130271 193.9
[M+Na-2H]- 266.091086 160.0
[M]+ 245.11587142 151.8
[M]- 245.11696858 151.8
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.