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 195.2
[M+Na]+ 417.17849 201.6
[M-H]- 393.18199 201.2
[M+NH4]+ 412.22309 206.6
[M+K]+ 433.15243 196.8
[M+H-H2O]+ 377.18653 186.5
[M+HCOO]- 439.18747 210.4
[M+CH3COO]- 453.20312 218.9
[M+Na-2H]- 415.16394 194.7
[M]+ 394.18872 196.3
[M]- 394.18982 196.3
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