CID 76850167

Tch-013

Structural Information

Molecular Formula
C31H30N2O2
SMILES
CCN1[C@H]([C@H](N(C1C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5
InChI
InChI=1S/C31H30N2O2/c1-2-32-29(31(34)35-27-21-13-6-14-22-27)28(25-17-9-4-10-18-25)33(23-24-15-7-3-8-16-24)30(32)26-19-11-5-12-20-26/h3-22,28-30H,2,23H2,1H3/t28-,29-,30?/m1/s1
InChIKey
XNGZTFZUVIAPCL-HPSQJEMFSA-N
Compound name
phenyl (4R,5R)-1-benzyl-3-ethyl-2,5-diphenylimidazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

462.23074 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23802 219.0
[M+Na]+ 485.21996 235.9
[M+NH4]+ 480.26456 226.5
[M+K]+ 501.19390 226.7
[M-H]- 461.22346 228.8
[M+Na-2H]- 483.20541 231.2
[M]+ 462.23019 224.4
[M]- 462.23129 224.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.