CID 3043722

Tr 2913

Structural Information

Molecular Formula
C28H27N3O2
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O2/c32-26-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)29-27(33)31(26)21-20-30-18-16-23(17-19-30)22-10-4-1-5-11-22/h1-16H,17-21H2,(H,29,33)
InChIKey
ZLMLYXTWHVSTDP-UHFFFAOYSA-N
Compound name
5,5-diphenyl-3-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.21033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21761 209.5
[M+Na]+ 460.19955 213.9
[M-H]- 436.20305 218.8
[M+NH4]+ 455.24415 215.9
[M+K]+ 476.17349 205.0
[M+H-H2O]+ 420.20759 195.2
[M+HCOO]- 482.20853 222.8
[M+CH3COO]- 496.22418 215.7
[M+Na-2H]- 458.18500 207.4
[M]+ 437.20978 203.0
[M]- 437.21088 203.0
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

patents stripe