CID 395641

57598-40-0

Structural Information

Molecular Formula
C17H17NO
SMILES
CC1(COC(=N1)C2=CC=CC=C2C3=CC=CC=C3)C
InChI
InChI=1S/C17H17NO/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKey
MUFNIUXQTXCXFN-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

251.13101 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 157.1
[M+Na]+ 274.12023 165.8
[M-H]- 250.12373 166.7
[M+NH4]+ 269.16483 175.2
[M+K]+ 290.09417 162.5
[M+H-H2O]+ 234.12827 148.9
[M+HCOO]- 296.12921 179.4
[M+CH3COO]- 310.14486 170.3
[M+Na-2H]- 272.10568 162.5
[M]+ 251.13046 157.6
[M]- 251.13156 157.6
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