CID 208852

Domipizone

Structural Information

Molecular Formula
C13H16N2O4
SMILES
COC1=C(C=C(C=C1)C2=NNC(=O)CC2CO)OC
InChI
InChI=1S/C13H16N2O4/c1-18-10-4-3-8(5-11(10)19-2)13-9(7-16)6-12(17)14-15-13/h3-5,9,16H,6-7H2,1-2H3,(H,14,17)
InChIKey
ZJWVOYSMOZCLEV-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

264.111 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 159.6
[M+Na]+ 287.100218 167.3
[M-H]- 263.103724 161.2
[M+NH4]+ 282.144823 172.3
[M+K]+ 303.074158 163.7
[M+H-H2O]+ 247.108260 151.2
[M+HCOO]- 309.109201 176.7
[M+CH3COO]- 323.124851 192.4
[M+Na-2H]- 285.085666 162.5
[M]+ 264.11045142 159.4
[M]- 264.11154858 159.4
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

patents stripe