CID 676388

(s,s)-2,2'-isopropylidenebis(4-phenyl-2-oxazoline)

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKey
JTNVCJCSECAMLD-QZTJIDSGSA-N
Compound name
(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

330
Patents

334.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 178.2
[M+Na]+ 357.157338 184.5
[M-H]- 333.160844 189.6
[M+NH4]+ 352.201943 189.3
[M+K]+ 373.131278 182.1
[M+H-H2O]+ 317.165380 169.4
[M+HCOO]- 379.166321 195.8
[M+CH3COO]- 393.181971 189.1
[M+Na-2H]- 355.142786 179.8
[M]+ 334.16757142 178.6
[M]- 334.16866858 178.6
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