CID 468454

Chembl358797

Structural Information

Molecular Formula
C25H28F2N2O
SMILES
C=CCN1[C@@H]([C@H](N(C1=O)CC=C)[C@H](CC2=CC=CC=C2)F)[C@H](CC3=CC=CC=C3)F
InChI
InChI=1S/C25H28F2N2O/c1-3-15-28-23(21(26)17-19-11-7-5-8-12-19)24(29(16-4-2)25(28)30)22(27)18-20-13-9-6-10-14-20/h3-14,21-24H,1-2,15-18H2/t21-,22-,23+,24+/m0/s1
InChIKey
FMYWCUIVCBKGPB-CJRSTVEYSA-N
Compound name
(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(prop-2-enyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.21698 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22426 202.3
[M+Na]+ 433.20620 207.1
[M-H]- 409.20970 205.6
[M+NH4]+ 428.25080 211.3
[M+K]+ 449.18014 199.0
[M+H-H2O]+ 393.21424 189.8
[M+HCOO]- 455.21518 216.0
[M+CH3COO]- 469.23083 227.6
[M+Na-2H]- 431.19165 195.6
[M]+ 410.21643 199.0
[M]- 410.21753 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

patents stripe