CID 10777254

4,5-dihydro-5-methyl-3,4-diphenyl-5-isoxazolol

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1(C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3
InChIKey
LOFHVOCXHGAVHL-UHFFFAOYSA-N
Compound name
5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

253.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.3
[M+Na]+ 276.09950 164.9
[M-H]- 252.10300 164.8
[M+NH4]+ 271.14410 173.6
[M+K]+ 292.07344 161.6
[M+H-H2O]+ 236.10754 148.5
[M+HCOO]- 298.10848 177.6
[M+CH3COO]- 312.12413 169.1
[M+Na-2H]- 274.08495 161.9
[M]+ 253.10973 156.2
[M]- 253.11083 156.2
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