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

1132
Patents

276.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.165906 163.6
[M+Na]+ 299.147848 171.0
[M-H]- 275.151354 163.8
[M+NH4]+ 294.192453 176.9
[M+K]+ 315.121788 166.0
[M+H-H2O]+ 259.155890 155.2
[M+HCOO]- 321.156831 183.4
[M+CH3COO]- 335.172481 203.4
[M+Na-2H]- 297.133296 168.6
[M]+ 276.15808142 162.9
[M]- 276.15917858 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

literature stripe

Patent stripe

patents stripe