CID 468452

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

Structural Information

Molecular Formula
C27H32F2N2O
SMILES
CC1CC1N2[C@@H]([C@H](N(C2=O)C3CC3C)[C@H](CC4=CC=CC=C4)F)[C@H](CC5=CC=CC=C5)F
InChI
InChI=1S/C27H32F2N2O/c1-17-13-23(17)30-25(21(28)15-19-9-5-3-6-10-19)26(31(27(30)32)24-14-18(24)2)22(29)16-20-11-7-4-8-12-20/h3-12,17-18,21-26H,13-16H2,1-2H3/t17?,18?,21-,22-,23?,24?,25+,26+/m0/s1
InChIKey
VZZBJLMSSSUKFX-XGLUXDIVSA-N
Compound name
(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(2-methylcyclopropyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.24826 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25554 198.9
[M+Na]+ 461.23748 204.2
[M-H]- 437.24098 207.3
[M+NH4]+ 456.28208 197.5
[M+K]+ 477.21142 197.6
[M+H-H2O]+ 421.24552 189.0
[M+HCOO]- 483.24646 211.1
[M+CH3COO]- 497.26211 204.1
[M+Na-2H]- 459.22293 190.9
[M]+ 438.24771 199.6
[M]- 438.24881 199.6
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.