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]+ 249.134596 154.2
[M+Na]+ 271.116538 162.4
[M-H]- 247.120044 153.3
[M+NH4]+ 266.161143 168.0
[M+K]+ 287.090478 156.4
[M+H-H2O]+ 231.124580 146.4
[M+HCOO]- 293.125521 174.2
[M+CH3COO]- 307.141171 194.2
[M+Na-2H]- 269.101986 161.0
[M]+ 248.12677142 151.6
[M]- 248.12786858 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

literature stripe

Patent stripe

patents stripe