CID 16179

2-benzylbenzoxazole

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKey
QHCPEVCCVPNQHM-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

43
Patents

209.08406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 143.2
[M+Na]+ 232.07328 160.3
[M+NH4]+ 227.11788 153.5
[M+K]+ 248.04722 153.3
[M-H]- 208.07678 149.9
[M+Na-2H]- 230.05873 153.8
[M]+ 209.08351 147.9
[M]- 209.08461 147.9
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