CID 112937

Zinc, dichloro(5-(diethylamino)-2-((2-pyridinyl-kappan)azo-kappan1)phenol)-

Structural Information

Molecular Formula
C15H18N4O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=CC=N2)O
InChI
InChI=1S/C15H18N4O/c1-3-19(4-2)12-8-9-13(14(20)11-12)17-18-15-7-5-6-10-16-15/h5-11,20H,3-4H2,1-2H3
InChIKey
RUWBLNHQQIAGEK-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-(pyridin-2-yldiazenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

270.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 162.6
[M+Na]+ 293.13729 168.9
[M-H]- 269.14079 170.7
[M+NH4]+ 288.18189 177.9
[M+K]+ 309.11123 166.7
[M+H-H2O]+ 253.14533 152.6
[M+HCOO]- 315.14627 190.8
[M+CH3COO]- 329.16192 211.3
[M+Na-2H]- 291.12274 169.8
[M]+ 270.14752 164.9
[M]- 270.14862 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe