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]+ 293.113206 163.0
[M+Na]+ 315.095148 173.9
[M-H]- 291.098654 168.3
[M+NH4]+ 310.139753 176.3
[M+K]+ 331.069088 172.1
[M+H-H2O]+ 275.103190 153.7
[M+HCOO]- 337.104131 185.8
[M+CH3COO]- 351.119781 203.0
[M+Na-2H]- 313.080596 167.6
[M]+ 292.10538142 171.4
[M]- 292.10647858 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