CID 196441

66612-29-1

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CCN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O
InChI
InChI=1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)
InChIKey
LEOJISUPFSWNMA-UHFFFAOYSA-N
Compound name
6-[4-aminobutyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

1113
Patents

276.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 163.6
[M+Na]+ 299.14785 171.0
[M-H]- 275.15135 163.8
[M+NH4]+ 294.19245 176.9
[M+K]+ 315.12179 166.0
[M+H-H2O]+ 259.15589 155.2
[M+HCOO]- 321.15683 183.4
[M+CH3COO]- 335.17248 203.4
[M+Na-2H]- 297.13330 168.6
[M]+ 276.15808 162.9
[M]- 276.15918 162.9
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.