CID 4823

Pimobendan

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKey
GLBJJMFZWDBELO-UHFFFAOYSA-N
Compound name
3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

403
References

6895
Patents

334.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 181.2
[M+Na]+ 357.13219 190.8
[M-H]- 333.13569 184.8
[M+NH4]+ 352.17679 190.7
[M+K]+ 373.10613 182.7
[M+H-H2O]+ 317.14023 170.3
[M+HCOO]- 379.14117 196.1
[M+CH3COO]- 393.15682 190.3
[M+Na-2H]- 355.11764 183.2
[M]+ 334.14242 179.8
[M]- 334.14352 179.8
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.