CID 4296141

2,4-diphenyl-5-methyloxazole

Structural Information

Molecular Formula
C16H13NO
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)17-16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
KUHVAHAVYJKLRN-UHFFFAOYSA-N
Compound name
5-methyl-2,4-diphenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

235.09972 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 151.5
[M+Na]+ 258.08894 160.7
[M-H]- 234.09244 161.2
[M+NH4]+ 253.13354 168.3
[M+K]+ 274.06288 157.2
[M+H-H2O]+ 218.09698 143.3
[M+HCOO]- 280.09792 175.5
[M+CH3COO]- 294.11357 165.2
[M+Na-2H]- 256.07439 157.5
[M]+ 235.09917 152.8
[M]- 235.10027 152.8
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