CID 629653

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

Structural Information

Molecular Formula
C17H13ClN4O
SMILES
C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H13ClN4O/c18-12-7-5-11(6-8-12)13-9-10-16(23)22(21-13)17-19-14-3-1-2-4-15(14)20-17/h1-8H,9-10H2,(H,19,20)
InChIKey
RVFILWBYOHKQTO-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0778 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08508 174.0
[M+Na]+ 347.06702 191.7
[M+NH4]+ 342.11162 181.9
[M+K]+ 363.04096 184.4
[M-H]- 323.07052 178.6
[M+Na-2H]- 345.05247 183.6
[M]+ 324.07725 178.2
[M]- 324.07835 178.2
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.