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]+ 469.22344 215.5
[M+Na]+ 491.20538 218.5
[M-H]- 467.20888 223.2
[M+NH4]+ 486.24998 218.9
[M+K]+ 507.17932 210.5
[M+H-H2O]+ 451.21342 200.7
[M+HCOO]- 513.21436 225.3
[M+CH3COO]- 527.23001 220.2
[M+Na-2H]- 489.19083 211.8
[M]+ 468.21561 208.1
[M]- 468.21671 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.