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]+ 337.15468 180.3
[M+Na]+ 359.13662 189.8
[M-H]- 335.14012 186.7
[M+NH4]+ 354.18122 190.5
[M+K]+ 375.11056 183.2
[M+H-H2O]+ 319.14466 169.5
[M+HCOO]- 381.14560 200.4
[M+CH3COO]- 395.16125 209.6
[M+Na-2H]- 357.12207 183.3
[M]+ 336.14685 182.5
[M]- 336.14795 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.