CID 5745573

4-(4,5-dihydro-5,5-dimethyl-1-(2-pyridinyl)-1h-pyrazol-3-yl)-3-hydroxy-2(5h)-furanone

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CC1(C/C(=C\2/COC(=O)C2=O)/NN1C3=CC=CC=N3)C
InChI
InChI=1S/C14H15N3O3/c1-14(2)7-10(9-8-20-13(19)12(9)18)16-17(14)11-5-3-4-6-15-11/h3-6,16H,7-8H2,1-2H3/b10-9+
InChIKey
DAOGZNBRXFNGQI-MDZDMXLPSA-N
Compound name
(4E)-4-(5,5-dimethyl-1-pyridin-2-ylpyrazolidin-3-ylidene)oxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 162.6
[M+Na]+ 296.10055 173.2
[M+NH4]+ 291.14515 169.5
[M+K]+ 312.07449 170.6
[M-H]- 272.10405 165.2
[M+Na-2H]- 294.08600 167.6
[M]+ 273.11078 164.6
[M]- 273.11188 164.6
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.