CID 5361105

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

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1(C/C(=C\2/COC(=O)C2=O)/NN1C3=CC=CC=C3)C
InChI
InChI=1S/C15H16N2O3/c1-15(2)8-12(11-9-20-14(19)13(11)18)16-17(15)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3/b12-11+
InChIKey
RBXWAVKIUGWBLR-VAWYXSNFSA-N
Compound name
(4E)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.1
[M+Na]+ 295.10532 169.4
[M-H]- 271.10882 168.1
[M+NH4]+ 290.14992 178.2
[M+K]+ 311.07926 165.8
[M+H-H2O]+ 255.11336 154.3
[M+HCOO]- 317.11430 178.6
[M+CH3COO]- 331.12995 172.8
[M+Na-2H]- 293.09077 160.4
[M]+ 272.11555 157.8
[M]- 272.11665 157.8
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.