CID 468453

(4s,5s)-4,5-bis[(1s)-1-fluoro-2-phenyl-ethyl]-1,3-bis(3-methyl-2-naphthyl)imidazolidin-2-one

Structural Information

Molecular Formula
C41H36F2N2O
SMILES
CC1=CC2=CC=CC=C2C=C1N3[C@@H]([C@H](N(C3=O)C4=CC5=CC=CC=C5C=C4C)[C@H](CC6=CC=CC=C6)F)[C@H](CC7=CC=CC=C7)F
InChI
InChI=1S/C41H36F2N2O/c1-27-21-31-17-9-11-19-33(31)25-37(27)44-39(35(42)23-29-13-5-3-6-14-29)40(36(43)24-30-15-7-4-8-16-30)45(41(44)46)38-26-34-20-12-10-18-32(34)22-28(38)2/h3-22,25-26,35-36,39-40H,23-24H2,1-2H3/t35-,36-,39+,40+/m0/s1
InChIKey
IFTRKLBQOWXTSK-JEGXQRANSA-N
Compound name
(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(3-methylnaphthalen-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.27954 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.28682 258.8
[M+Na]+ 633.26876 263.9
[M-H]- 609.27226 269.3
[M+NH4]+ 628.31336 259.9
[M+K]+ 649.24270 252.5
[M+H-H2O]+ 593.27680 241.0
[M+HCOO]- 655.27774 267.9
[M+CH3COO]- 669.29339 261.8
[M+Na-2H]- 631.25421 250.5
[M]+ 610.27899 255.9
[M]- 610.28009 255.9
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.