CID 204877

17088-59-4

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC(C)OC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2
InChI
InChI=1S/C15H17ClN2O2/c1-11(2)20-14-8-9-15(19)18(17-14)13(10-16)12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3
InChIKey
GECWHKCEWHWITO-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 163.8
[M+Na]+ 315.087088 172.1
[M-H]- 291.090594 167.7
[M+NH4]+ 310.131693 177.3
[M+K]+ 331.061028 167.4
[M+H-H2O]+ 275.095130 155.1
[M+HCOO]- 337.096071 179.1
[M+CH3COO]- 351.111721 201.3
[M+Na-2H]- 313.072536 167.3
[M]+ 292.09732142 168.0
[M]- 292.09841858 168.0
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.