CID 3045256

4(1h)-pyridazinone, 3-methoxy-1-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C14H16N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)N2C=CC(=O)C(=N2)OC
InChI
InChI=1S/C14H16N2O5/c1-18-11-7-9(8-12(19-2)13(11)20-3)16-6-5-10(17)14(15-16)21-4/h5-8H,1-4H3
InChIKey
LEANHXNOJQBTEI-UHFFFAOYSA-N
Compound name
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.10593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.0
[M+Na]+ 315.09515 173.9
[M-H]- 291.09865 168.3
[M+NH4]+ 310.13975 176.3
[M+K]+ 331.06909 172.1
[M+H-H2O]+ 275.10319 153.7
[M+HCOO]- 337.10413 185.8
[M+CH3COO]- 351.11978 203.0
[M+Na-2H]- 313.08060 167.6
[M]+ 292.10538 171.4
[M]- 292.10648 171.4
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