CID 54688607

Denpidazone

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCCCC1=C(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H20N2O3/c1-2-3-14-17-18(23)20(25)22(16-12-8-5-9-13-16)21(19(17)24)15-10-6-4-7-11-15/h4-13,23H,2-3,14H2,1H3
InChIKey
QGSGBBMKWJGCIE-UHFFFAOYSA-N
Compound name
4-butyl-5-hydroxy-1,2-diphenylpyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

336.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 180.3
[M+Na]+ 359.136618 189.8
[M-H]- 335.140124 186.7
[M+NH4]+ 354.181223 190.5
[M+K]+ 375.110558 183.2
[M+H-H2O]+ 319.144660 169.5
[M+HCOO]- 381.145601 200.4
[M+CH3COO]- 395.161251 209.6
[M+Na-2H]- 357.122066 183.3
[M]+ 336.14685142 182.5
[M]- 336.14794858 182.5
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.