CID 121428

3,5-pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CCCCC1C(=O)N(N(C1=O)C2=CC(=CC=C2)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C19H20N2O4/c1-2-3-10-17-18(24)20(13-6-4-8-15(22)11-13)21(19(17)25)14-7-5-9-16(23)12-14/h4-9,11-12,17,22-23H,2-3,10H2,1H3
InChIKey
VKZRALJXXAVKJL-UHFFFAOYSA-N
Compound name
4-butyl-1,2-bis(3-hydroxyphenyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 180.3
[M+Na]+ 363.131518 188.5
[M-H]- 339.135024 185.6
[M+NH4]+ 358.176123 191.7
[M+K]+ 379.105458 182.7
[M+H-H2O]+ 323.139560 171.3
[M+HCOO]- 385.140501 197.7
[M+CH3COO]- 399.156151 208.0
[M+Na-2H]- 361.116966 178.5
[M]+ 340.14175142 180.5
[M]- 340.14284858 180.5
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.