CID 37928

38196-02-0

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)CC(=O)O

InChI

InChI=1S/C15H11NO3/c17-14(18)9-10-6-7-13-12(8-10)16-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)

InChIKey

QFHJRGYAPLZITA-UHFFFAOYSA-N

Compound name

2-(2-phenyl-1,3-benzoxazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 253.0739 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.08118	154.2
[M+Na]+	276.06312	169.5
[M+NH4]+	271.10772	162.3
[M+K]+	292.03706	164.6
[M-H]-	252.06662	158.9
[M+Na-2H]-	274.04857	162.2
[M]+	253.07335	157.8
[M]-	253.07445	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe