CID 3066204

M.g. 16216

Structural Information

Molecular Formula
C28H28N4O3
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C(NC4=O)C5=CC=CC=C5
InChI
InChI=1S/C28H28N4O3/c33-24(20-32-27(34)25(29-28(32)35)21-10-4-1-5-11-21)30-16-18-31(19-17-30)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25-26H,16-20H2,(H,29,35)
InChIKey
IFKWFSHLMCALDH-UHFFFAOYSA-N
Compound name
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.21616 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.223436 213.9
[M+Na]+ 491.205378 215.3
[M-H]- 467.208884 221.3
[M+NH4]+ 486.249983 215.1
[M+K]+ 507.179318 207.5
[M+H-H2O]+ 451.213420 199.5
[M+HCOO]- 513.214361 222.6
[M+CH3COO]- 527.230011 218.1
[M+Na-2H]- 489.190826 208.3
[M]+ 468.21561142 205.6
[M]- 468.21670858 205.6
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.