CID 209776

Brn 0587719

Structural Information

Molecular Formula
C28H22N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C28H22N2O3/c31-26(24-17-9-11-20-10-7-8-16-23(20)24)19-18-25-27(32)29(21-12-3-1-4-13-21)30(28(25)33)22-14-5-2-6-15-22/h1-17,25H,18-19H2
InChIKey
AFXJLKNVRKRQDS-UHFFFAOYSA-N
Compound name
4-(3-naphthalen-1-yl-3-oxopropyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.16306 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17034 207.7
[M+Na]+ 457.15228 213.9
[M-H]- 433.15578 218.1
[M+NH4]+ 452.19688 215.7
[M+K]+ 473.12622 206.2
[M+H-H2O]+ 417.16032 195.0
[M+HCOO]- 479.16126 224.2
[M+CH3COO]- 493.17691 215.6
[M+Na-2H]- 455.13773 205.8
[M]+ 434.16251 206.6
[M]- 434.16361 206.6
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.