CID 459104

2-(1,3-benzoxazol-2-ylamino)phenol

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC=C3O
InChI
InChI=1S/C13H10N2O2/c16-11-7-3-1-5-9(11)14-13-15-10-6-2-4-8-12(10)17-13/h1-8,16H,(H,14,15)
InChIKey
YQVFYTIIDXRRDN-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.07423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 145.1
[M+Na]+ 249.06345 155.2
[M-H]- 225.06695 151.9
[M+NH4]+ 244.10805 162.6
[M+K]+ 265.03739 151.8
[M+H-H2O]+ 209.07149 137.8
[M+HCOO]- 271.07243 169.7
[M+CH3COO]- 285.08808 159.0
[M+Na-2H]- 247.04890 154.5
[M]+ 226.07368 147.2
[M]- 226.07478 147.2
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

No patent data available for this compound.