CID 14808864

Diquat dipyridone

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1CN2C(=O)C=CC=C2C3=CC=CC(=O)N31
InChI
InChI=1S/C12H10N2O2/c15-11-5-1-3-9-10-4-2-6-12(16)14(10)8-7-13(9)11/h1-6H,7-8H2
InChIKey
KCTKVKNCYCXHMV-UHFFFAOYSA-N
Compound name
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,12-tetraene-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 143.5
[M+Na]+ 237.06345 159.8
[M+NH4]+ 232.10805 152.5
[M+K]+ 253.03739 152.0
[M-H]- 213.06695 146.1
[M+Na-2H]- 235.04890 150.9
[M]+ 214.07368 146.6
[M]- 214.07478 146.6
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.