CID 51358689

2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4(5h)-one

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CCOC1=C(C=C(C=C1)C2=NN3C=CNC(=O)C3=C2)Cl
InChI
InChI=1S/C14H12ClN3O2/c1-2-20-13-4-3-9(7-10(13)15)11-8-12-14(19)16-5-6-18(12)17-11/h3-8H,2H2,1H3,(H,16,19)
InChIKey
OKDDFVNEISZWCX-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-ethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0618 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 162.4
[M+Na]+ 312.05102 179.4
[M+NH4]+ 307.09562 170.0
[M+K]+ 328.02496 173.1
[M-H]- 288.05452 165.0
[M+Na-2H]- 310.03647 170.5
[M]+ 289.06125 165.9
[M]- 289.06235 165.9
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.