CID 3045255

4(1h)-pyridazinone, 3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CC1=CC(=O)C(=NN1C2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C15H18N2O5/c1-9-6-11(18)15(22-5)16-17(9)10-7-12(19-2)14(21-4)13(8-10)20-3/h6-8H,1-5H3
InChIKey
MUXYIRUKURTNKQ-UHFFFAOYSA-N
Compound name
3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.12158 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 167.4
[M+Na]+ 329.11080 178.7
[M-H]- 305.11430 172.9
[M+NH4]+ 324.15540 180.5
[M+K]+ 345.08474 176.8
[M+H-H2O]+ 289.11884 158.2
[M+HCOO]- 351.11978 189.8
[M+CH3COO]- 365.13543 207.3
[M+Na-2H]- 327.09625 170.8
[M]+ 306.12103 176.6
[M]- 306.12213 176.6
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