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

6944
Patents

334.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.150246 181.2
[M+Na]+ 357.132188 190.8
[M-H]- 333.135694 184.8
[M+NH4]+ 352.176793 190.7
[M+K]+ 373.106128 182.7
[M+H-H2O]+ 317.140230 170.3
[M+HCOO]- 379.141171 196.1
[M+CH3COO]- 393.156821 190.3
[M+Na-2H]- 355.117636 183.2
[M]+ 334.14242142 179.8
[M]- 334.14351858 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

literature stripe

Patent stripe

patents stripe