CID 204871

17072-89-8

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CCCOC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2
InChI
InChI=1S/C15H17ClN2O2/c1-2-10-20-14-8-9-15(19)18(17-14)13(11-16)12-6-4-3-5-7-12/h3-9,13H,2,10-11H2,1H3
InChIKey
PHCBLMNADJXTEP-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-propoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 164.4
[M+Na]+ 315.087088 173.0
[M-H]- 291.090594 168.1
[M+NH4]+ 310.131693 177.9
[M+K]+ 331.061028 167.7
[M+H-H2O]+ 275.095130 155.5
[M+HCOO]- 337.096071 180.7
[M+CH3COO]- 351.111721 200.4
[M+Na-2H]- 313.072536 168.9
[M]+ 292.09732142 169.1
[M]- 292.09841858 169.1
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.