CID 445390

1,4-phthalazinedione, 6-amino-

Structural Information

Molecular Formula
C8H5N3O2
SMILES
C1=CC2=C(C=C1N)C(=O)N=NC2=O
InChI
InChI=1S/C8H5N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2
InChIKey
KEMXZUFXVNATEV-UHFFFAOYSA-N
Compound name
6-aminophthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

175.03818 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04546 133.3
[M+Na]+ 198.02740 146.8
[M+NH4]+ 193.07200 140.9
[M+K]+ 214.00134 141.2
[M-H]- 174.03090 134.7
[M+Na-2H]- 196.01285 139.4
[M]+ 175.03763 135.4
[M]- 175.03873 135.4
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

patents stripe