CID 26936

1-(p-hydroxyphenyl)-4-isopropyl-2-phenyl-3,5-pyrazolidinedione

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C)C1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O3/c1-12(2)16-17(22)19(13-6-4-3-5-7-13)20(18(16)23)14-8-10-15(21)11-9-14/h3-12,16,21H,1-2H3
InChIKey
FUJCEKJBRZNYBQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-2-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.8
[M+Na]+ 333.12096 187.1
[M+NH4]+ 328.16556 180.1
[M+K]+ 349.09490 182.8
[M-H]- 309.12446 177.2
[M+Na-2H]- 331.10641 180.3
[M]+ 310.13119 176.5
[M]- 310.13229 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.