CID 204863

17072-80-9

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C1=CC=C(C=C1)COC2=NN(C(=O)C=C2)C(CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H17ClN2O2/c20-13-17(16-9-5-2-6-10-16)22-19(23)12-11-18(21-22)24-14-15-7-3-1-4-8-15/h1-12,17H,13-14H2
InChIKey
WNOKUZLCCQYYHY-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-phenylmethoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09787 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 178.7
[M+Na]+ 363.08709 196.5
[M+NH4]+ 358.13169 186.8
[M+K]+ 379.06103 186.7
[M-H]- 339.09059 184.6
[M+Na-2H]- 361.07254 190.5
[M]+ 340.09732 183.4
[M]- 340.09842 183.4
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.