CID 3086923

3(2h)-pyridazinone, 4,5-dihydro-2-(1h-benzimidazol-2-yl)-6-phenyl-

Structural Information

Molecular Formula
C17H14N4O
SMILES
C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H14N4O/c22-16-11-10-13(12-6-2-1-3-7-12)20-21(16)17-18-14-8-4-5-9-15(14)19-17/h1-9H,10-11H2,(H,18,19)
InChIKey
FGEZOMNZHMDGMC-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11676 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12404 167.6
[M+Na]+ 313.10598 177.0
[M-H]- 289.10948 172.0
[M+NH4]+ 308.15058 179.1
[M+K]+ 329.07992 169.4
[M+H-H2O]+ 273.11402 156.4
[M+HCOO]- 335.11496 184.6
[M+CH3COO]- 349.13061 177.8
[M+Na-2H]- 311.09143 172.5
[M]+ 290.11621 165.1
[M]- 290.11731 165.1
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.