CID 9954

Brn 0483178

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1=CC(=C(C=C1CCNC2=CC(=NC=C2)N)O)O
InChI
InChI=1S/C13H15N3O2/c14-13-8-10(4-6-16-13)15-5-3-9-1-2-11(17)12(18)7-9/h1-2,4,6-8,17-18H,3,5H2,(H3,14,15,16)
InChIKey
KEQDYXZIMWLSER-UHFFFAOYSA-N
Compound name
4-[2-[(2-aminopyridin-4-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 154.5
[M+Na]+ 268.10564 161.7
[M-H]- 244.10914 157.3
[M+NH4]+ 263.15024 168.5
[M+K]+ 284.07958 156.8
[M+H-H2O]+ 228.11368 146.5
[M+HCOO]- 290.11462 176.8
[M+CH3COO]- 304.13027 193.9
[M+Na-2H]- 266.09109 160.0
[M]+ 245.11587 151.8
[M]- 245.11697 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.