CID 214404

4,5-diphenyl-2-((phenethylamino)methyl)oxazole monohydrochloride

Structural Information

Molecular Formula
C24H22N2O
SMILES
C1=CC=C(C=C1)CCNCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O/c1-4-10-19(11-5-1)16-17-25-18-22-26-23(20-12-6-2-7-13-20)24(27-22)21-14-8-3-9-15-21/h1-15,25H,16-18H2
InChIKey
PSXWNNOJKWGMOK-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.17322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18050 185.7
[M+Na]+ 377.16244 191.5
[M-H]- 353.16594 197.3
[M+NH4]+ 372.20704 196.3
[M+K]+ 393.13638 185.5
[M+H-H2O]+ 337.17048 174.7
[M+HCOO]- 399.17142 208.9
[M+CH3COO]- 413.18707 196.0
[M+Na-2H]- 375.14789 189.8
[M]+ 354.17267 186.1
[M]- 354.17377 186.1
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.