CID 3063769

Hydantoin, 5,5-diphenyl-3-(3-piperidinopropyl)-2-thio-, monohydrochloride

Structural Information

Molecular Formula
C23H27N3OS
SMILES
C1CCN(CC1)CCCN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3OS/c27-21-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)24-22(28)26(21)18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2,(H,24,28)
InChIKey
RQMKZIUQTPBYBE-UHFFFAOYSA-N
Compound name
5,5-diphenyl-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18747 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19475 195.1
[M+Na]+ 416.17669 207.6
[M+NH4]+ 411.22129 203.8
[M+K]+ 432.15063 196.7
[M-H]- 392.18019 200.9
[M+Na-2H]- 414.16214 204.2
[M]+ 393.18692 199.0
[M]- 393.18802 199.0
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.