CID 360087

6-(4-aminobutylamino)-2,3-dihydrophthalazine-1,4-dione

Structural Information

Molecular Formula
C12H16N4O2
SMILES
C1=CC2=C(C=C1NCCCCN)C(=O)NNC2=O
InChI
InChI=1S/C12H16N4O2/c13-5-1-2-6-14-8-3-4-9-10(7-8)12(18)16-15-11(9)17/h3-4,7,14H,1-2,5-6,13H2,(H,15,17)(H,16,18)
InChIKey
QFXJAYZOSATTDS-UHFFFAOYSA-N
Compound name
6-(4-aminobutylamino)-2,3-dihydrophthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

57
Patents

248.12732 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13460 154.2
[M+Na]+ 271.11654 162.4
[M-H]- 247.12004 153.3
[M+NH4]+ 266.16114 168.0
[M+K]+ 287.09048 156.4
[M+H-H2O]+ 231.12458 146.4
[M+HCOO]- 293.12552 174.2
[M+CH3COO]- 307.14117 194.2
[M+Na-2H]- 269.10199 161.0
[M]+ 248.12677 151.6
[M]- 248.12787 151.6
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.