CID 3039775

51234-56-1

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C16H14N2O2/c1-10(15(17)19)12-7-8-14-13(9-12)18-16(20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,19)
InChIKey
CLSKZQOZXBYSJE-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.4
[M+Na]+ 289.09475 169.1
[M-H]- 265.09825 167.7
[M+NH4]+ 284.13935 176.4
[M+K]+ 305.06869 166.0
[M+H-H2O]+ 249.10279 152.5
[M+HCOO]- 311.10373 182.9
[M+CH3COO]- 325.11938 173.0
[M+Na-2H]- 287.08020 165.0
[M]+ 266.10498 162.3
[M]- 266.10608 162.3
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