CID 3054965

71825-18-8

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC(C1=CC=CC2=C1ON=C2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H13NO3/c1-10(16(18)19)12-8-5-9-13-14(17-20-15(12)13)11-6-3-2-4-7-11/h2-10H,1H3,(H,18,19)
InChIKey
LFRGBRILBOKUIC-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1,2-benzoxazol-7-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.8
[M+Na]+ 290.07876 167.9
[M-H]- 266.08226 165.4
[M+NH4]+ 285.12336 174.6
[M+K]+ 306.05270 165.0
[M+H-H2O]+ 250.08680 151.5
[M+HCOO]- 312.08774 179.6
[M+CH3COO]- 326.10339 171.5
[M+Na-2H]- 288.06421 163.6
[M]+ 267.08899 162.0
[M]- 267.09009 162.0
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

No patent data available for this compound.