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]+ 341.105146 177.6
[M+Na]+ 363.087088 185.6
[M-H]- 339.090594 184.1
[M+NH4]+ 358.131693 188.4
[M+K]+ 379.061028 178.8
[M+H-H2O]+ 323.095130 166.8
[M+HCOO]- 385.096071 193.6
[M+CH3COO]- 399.111721 187.8
[M+Na-2H]- 361.072536 182.4
[M]+ 340.09732142 181.0
[M]- 340.09841858 181.0
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.