CID 49768129

Schembl4374072

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C1CC(=O)NN=C1CC2=CC(=C(C=C2)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c18-15-8-6-12(10-13-7-9-17(21)20-19-13)11-16(15)22-14-4-2-1-3-5-14/h1-6,8,11H,7,9-10H2,(H,20,21)
InChIKey
LXXVYINNLAMNMN-UHFFFAOYSA-N
Compound name
3-[(4-chloro-3-phenoxyphenyl)methyl]-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

314.0822 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 171.4
[M+Na]+ 337.07142 179.1
[M-H]- 313.07492 176.5
[M+NH4]+ 332.11602 182.8
[M+K]+ 353.04536 171.9
[M+H-H2O]+ 297.07946 161.4
[M+HCOO]- 359.08040 184.8
[M+CH3COO]- 373.09605 181.3
[M+Na-2H]- 335.05687 175.2
[M]+ 314.08165 170.5
[M]- 314.08275 170.5
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

patents stripe