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

1
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 217.1
[M+Na]+ 485.21996 220.7
[M-H]- 461.22346 228.8
[M+NH4]+ 480.26456 222.6
[M+K]+ 501.19390 212.8
[M+H-H2O]+ 445.22800 203.1
[M+HCOO]- 507.22894 233.5
[M+CH3COO]- 521.24459 223.7
[M+Na-2H]- 483.20541 213.7
[M]+ 462.23019 215.0
[M]- 462.23129 215.0
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

No patent data available for this compound.