CID 697622

Refchem:408280

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1[C@@H](N=C(O1)C2=N[C@H](CO2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1
InChIKey
OIEQQWQZUYZCRJ-ROUUACIJSA-N
Compound name
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

320.15247 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.159746 173.8
[M+Na]+ 343.141688 180.2
[M-H]- 319.145194 185.0
[M+NH4]+ 338.186293 185.4
[M+K]+ 359.115628 177.4
[M+H-H2O]+ 303.149730 164.4
[M+HCOO]- 365.150671 193.4
[M+CH3COO]- 379.166321 184.9
[M+Na-2H]- 341.127136 174.8
[M]+ 320.15192142 174.3
[M]- 320.15301858 174.3
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

patents stripe