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
1
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]+ 295.13018 169.5
[M+Na]+ 317.11212 179.6
[M-H]- 293.11562 170.1
[M+NH4]+ 312.15672 179.1
[M+K]+ 333.08606 171.2
[M+H-H2O]+ 277.12016 159.1
[M+HCOO]- 339.12110 182.5
[M+CH3COO]- 353.13675 178.4
[M+Na-2H]- 315.09757 170.4
[M]+ 294.12235 165.5
[M]- 294.12345 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.