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]+ 469.22344 213.9
[M+Na]+ 491.20538 215.3
[M-H]- 467.20888 221.3
[M+NH4]+ 486.24998 215.1
[M+K]+ 507.17932 207.5
[M+H-H2O]+ 451.21342 199.5
[M+HCOO]- 513.21436 222.6
[M+CH3COO]- 527.23001 218.1
[M+Na-2H]- 489.19083 208.3
[M]+ 468.21561 205.6
[M]- 468.21671 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.