CID 204877

Brn 0815370

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]+ 293.10515 164.8
[M+Na]+ 315.08709 180.1
[M+NH4]+ 310.13169 172.2
[M+K]+ 331.06103 172.7
[M-H]- 291.09059 167.7
[M+Na-2H]- 313.07254 173.3
[M]+ 292.09732 168.1
[M]- 292.09842 168.1
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.