CID 39948

51234-52-7

Structural Information

Molecular Formula
C17H15NO3
SMILES
CCOC(=O)CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-2-20-16(19)11-12-8-9-14-15(10-12)21-17(18-14)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
InChIKey
NYRJACZZPCHARO-UHFFFAOYSA-N
Compound name
ethyl 2-(2-phenyl-1,3-benzoxazol-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

281.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.9
[M+Na]+ 304.09442 178.3
[M+NH4]+ 299.13902 171.1
[M+K]+ 320.06836 172.7
[M-H]- 280.09792 168.0
[M+Na-2H]- 302.07987 171.0
[M]+ 281.10465 166.7
[M]- 281.10575 166.7
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