CID 721870

4-amino-2-benzooxazol-2-yl-phenol

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)N)O
InChI
InChI=1S/C13H10N2O2/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChIKey
JVPMCQUVQZEYKJ-UHFFFAOYSA-N
Compound name
4-amino-2-(1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

226.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 147.2
[M+Na]+ 249.06345 162.5
[M+NH4]+ 244.10805 156.0
[M+K]+ 265.03739 157.7
[M-H]- 225.06695 153.1
[M+Na-2H]- 247.04890 155.6
[M]+ 226.07368 151.1
[M]- 226.07478 151.1
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