CID 209775

Brn 0632028

Structural Information

Molecular Formula
C28H26N2O3
SMILES
C1CCC2=C(C1)C=CC(=C2)C(=O)CCC3C(=O)N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H26N2O3/c31-26(22-16-15-20-9-7-8-10-21(20)19-22)18-17-25-27(32)29(23-11-3-1-4-12-23)30(28(25)33)24-13-5-2-6-14-24/h1-6,11-16,19,25H,7-10,17-18H2
InChIKey
ZMUKFJGEFZWDOV-UHFFFAOYSA-N
Compound name
4-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.19434 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20162 209.0
[M+Na]+ 461.18356 213.2
[M-H]- 437.18706 218.6
[M+NH4]+ 456.22816 216.7
[M+K]+ 477.15750 205.8
[M+H-H2O]+ 421.19160 196.3
[M+HCOO]- 483.19254 222.7
[M+CH3COO]- 497.20819 215.9
[M+Na-2H]- 459.16901 205.2
[M]+ 438.19379 205.2
[M]- 438.19489 205.2
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.