CID 3066203

M.g. 16134

Structural Information

Molecular Formula
C29H32N4O2
SMILES
C1CN(CCN1CCCN2C(=O)C(NC2=O)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H32N4O2/c34-28-26(23-11-4-1-5-12-23)30-29(35)33(28)18-10-17-31-19-21-32(22-20-31)27(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27H,10,17-22H2,(H,30,35)
InChIKey
CYOQNCUPFQQAHM-UHFFFAOYSA-N
Compound name
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.25253 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.25981 216.6
[M+Na]+ 491.24175 217.8
[M-H]- 467.24525 223.5
[M+NH4]+ 486.28635 218.0
[M+K]+ 507.21569 208.9
[M+H-H2O]+ 451.24979 201.6
[M+HCOO]- 513.25073 225.5
[M+CH3COO]- 527.26638 220.5
[M+Na-2H]- 489.22720 211.2
[M]+ 468.25198 208.5
[M]- 468.25308 208.5
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.