CID 204869

Brn 0842993

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
COC1=NN(C(=O)C=C1)C(CNC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O2/c1-25-18-11-12-19(24)23(22-18)17(14-5-3-2-4-6-14)13-21-16-9-7-15(20)8-10-16/h2-12,17,21H,13H2,1H3
InChIKey
ZZTSQQIEPNPFOW-UHFFFAOYSA-N
Compound name
2-[2-(4-chloroanilino)-1-phenylethyl]-6-methoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 182.9
[M+Na]+ 378.09798 199.8
[M+NH4]+ 373.14258 190.4
[M+K]+ 394.07192 190.6
[M-H]- 354.10148 189.1
[M+Na-2H]- 376.08343 194.1
[M]+ 355.10821 187.5
[M]- 355.10931 187.5
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

No patent data available for this compound.