CID 214446

33161-96-5

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1COCCN1CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c1-3-7-17(8-4-1)20-21(18-9-5-2-6-10-18)25-19(22-20)11-12-23-13-15-24-16-14-23/h1-10H,11-16H2
InChIKey
HLLXCEVAVHLQTH-UHFFFAOYSA-N
Compound name
4-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 180.0
[M+Na]+ 357.157338 185.1
[M-H]- 333.160844 190.2
[M+NH4]+ 352.201943 188.8
[M+K]+ 373.131278 181.7
[M+H-H2O]+ 317.165380 168.9
[M+HCOO]- 379.166321 196.8
[M+CH3COO]- 393.181971 189.7
[M+Na-2H]- 355.142786 182.3
[M]+ 334.16757142 178.2
[M]- 334.16866858 178.2
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

patents stripe