CID 65934

Meribendan

Structural Information

Molecular Formula
C15H14N6O
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=NN4
InChI
InChI=1S/C15H14N6O/c1-8-6-13(22)20-21-14(8)9-2-3-10-12(7-9)18-15(17-10)11-4-5-16-19-11/h2-5,7-8H,6H2,1H3,(H,16,19)(H,17,18)(H,20,22)
InChIKey
FDWDHUONLKCDBV-UHFFFAOYSA-N
Compound name
4-methyl-3-[2-(1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

179
Patents

294.1229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.130176 169.5
[M+Na]+ 317.112118 179.6
[M-H]- 293.115624 170.1
[M+NH4]+ 312.156723 179.1
[M+K]+ 333.086058 171.2
[M+H-H2O]+ 277.120160 159.1
[M+HCOO]- 339.121101 182.5
[M+CH3COO]- 353.136751 178.4
[M+Na-2H]- 315.097566 170.4
[M]+ 294.12235142 165.5
[M]- 294.12344858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe