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]+ 321.13460 175.7
[M+Na]+ 343.11654 185.3
[M-H]- 319.12004 180.4
[M+NH4]+ 338.16114 186.2
[M+K]+ 359.09048 178.2
[M+H-H2O]+ 303.12458 164.4
[M+HCOO]- 365.12552 192.5
[M+CH3COO]- 379.14117 185.6
[M+Na-2H]- 341.10199 179.4
[M]+ 320.12677 175.3
[M]- 320.12787 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.