CID 3041629

54505-59-8

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCC(CC1)C2C(=O)NN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,16,18)
InChIKey
OAZDLPWPRZZHFU-UHFFFAOYSA-N
Compound name
4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.9
[M+Na]+ 281.12606 165.9
[M-H]- 257.12956 165.8
[M+NH4]+ 276.17066 175.4
[M+K]+ 297.10000 161.0
[M+H-H2O]+ 241.13410 151.8
[M+HCOO]- 303.13504 176.5
[M+CH3COO]- 317.15069 170.8
[M+Na-2H]- 279.11151 160.3
[M]+ 258.13629 153.1
[M]- 258.13739 153.1
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.