CID 3021918

Hydantoin, 3-(2-(4-benzyl-1-piperazinyl)-2-oxoethyl)-5,5-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C28H28N4O3
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N4O3/c33-25(31-18-16-30(17-19-31)20-22-10-4-1-5-11-22)21-32-26(34)28(29-27(32)35,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15H,16-21H2,(H,29,35)
InChIKey
BPUFZZRGWQCEKR-UHFFFAOYSA-N
Compound name
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.21616 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.223436 215.5
[M+Na]+ 491.205378 218.5
[M-H]- 467.208884 223.2
[M+NH4]+ 486.249983 218.9
[M+K]+ 507.179318 210.5
[M+H-H2O]+ 451.213420 200.7
[M+HCOO]- 513.214361 225.3
[M+CH3COO]- 527.230011 220.2
[M+Na-2H]- 489.190826 211.8
[M]+ 468.21561142 208.1
[M]- 468.21670858 208.1
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.