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]+ 293.10515 164.4
[M+Na]+ 315.08709 173.0
[M-H]- 291.09059 168.1
[M+NH4]+ 310.13169 177.9
[M+K]+ 331.06103 167.7
[M+H-H2O]+ 275.09513 155.5
[M+HCOO]- 337.09607 180.7
[M+CH3COO]- 351.11172 200.4
[M+Na-2H]- 313.07254 168.9
[M]+ 292.09732 169.1
[M]- 292.09842 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.