CID 128323

Brn 0805215

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCC1(C(=O)N2CC3=CC=CC=C3CN2C1=O)CC
InChI
InChI=1S/C15H18N2O2/c1-3-15(4-2)13(18)16-9-11-7-5-6-8-12(11)10-17(16)14(15)19/h5-8H,3-4,9-10H2,1-2H3
InChIKey
LFQMTRPJSNJBCF-UHFFFAOYSA-N
Compound name
2,2-diethyl-5,10-dihydropyrazolo[1,2-b]phthalazine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.8
[M+Na]+ 281.12606 169.4
[M-H]- 257.12956 162.5
[M+NH4]+ 276.17066 180.3
[M+K]+ 297.10000 164.9
[M+H-H2O]+ 241.13410 152.6
[M+HCOO]- 303.13504 176.5
[M+CH3COO]- 317.15069 197.4
[M+Na-2H]- 279.11151 163.4
[M]+ 258.13629 160.1
[M]- 258.13739 160.1
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

No patent data available for this compound.