CID 112786

2-methyl-5-phenylbenzoxazole

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
CHZDPBVCBBQQRP-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

198
Patents

209.08406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 143.0
[M+Na]+ 232.07328 160.4
[M+NH4]+ 227.11788 153.3
[M+K]+ 248.04722 153.7
[M-H]- 208.07678 149.7
[M+Na-2H]- 230.05873 153.3
[M]+ 209.08351 147.7
[M]- 209.08461 147.7
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