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 172.3
[M+Na]+ 333.12096 180.4
[M-H]- 309.12446 178.8
[M+NH4]+ 328.16556 185.4
[M+K]+ 349.09490 175.5
[M+H-H2O]+ 293.12900 163.3
[M+HCOO]- 355.12994 190.4
[M+CH3COO]- 369.14559 204.7
[M+Na-2H]- 331.10641 170.8
[M]+ 310.13119 171.5
[M]- 310.13229 171.5
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.