CID 3039092

Brn 0717412

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC(C)(C)C(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO
InChI
InChI=1S/C23H26N2O4/c1-22(2,3)19(27)14-15-23(16-26)20(28)24(17-10-6-4-7-11-17)25(21(23)29)18-12-8-5-9-13-18/h4-13,26H,14-16H2,1-3H3
InChIKey
AHHVHIBGPHHYFJ-UHFFFAOYSA-N
Compound name
4-(4,4-dimethyl-3-oxopentyl)-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.18927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 194.8
[M+Na]+ 417.17849 205.9
[M+NH4]+ 412.22309 200.6
[M+K]+ 433.15243 200.6
[M-H]- 393.18199 196.6
[M+Na-2H]- 415.16394 201.6
[M]+ 394.18872 196.8
[M]- 394.18982 196.8
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

patents stripe