CID 584023

112445-66-6

Structural Information

Molecular Formula
C18H16N4O2
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H16N4O2/c1-24-13-8-6-12(7-9-13)14-10-11-17(23)22(21-14)18-19-15-4-2-3-5-16(15)20-18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey
IBTAMYGBMTYTBT-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.134596 175.7
[M+Na]+ 343.116538 185.3
[M-H]- 319.120044 180.4
[M+NH4]+ 338.161143 186.2
[M+K]+ 359.090478 178.2
[M+H-H2O]+ 303.124580 164.4
[M+HCOO]- 365.125521 192.5
[M+CH3COO]- 379.141171 185.6
[M+Na-2H]- 341.101986 179.4
[M]+ 320.12677142 175.3
[M]- 320.12786858 175.3
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.