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]+ 325.085076 174.7
[M+Na]+ 347.067018 185.6
[M-H]- 323.070524 179.0
[M+NH4]+ 342.111623 186.0
[M+K]+ 363.040958 176.8
[M+H-H2O]+ 307.075060 163.5
[M+HCOO]- 369.076001 186.9
[M+CH3COO]- 383.091651 184.7
[M+Na-2H]- 345.052466 178.2
[M]+ 324.07725142 174.7
[M]- 324.07834858 174.7
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.