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]+ 227.081506 145.1
[M+Na]+ 249.063448 155.2
[M-H]- 225.066954 151.9
[M+NH4]+ 244.108053 162.6
[M+K]+ 265.037388 151.8
[M+H-H2O]+ 209.071490 137.8
[M+HCOO]- 271.072431 169.7
[M+CH3COO]- 285.088081 159.0
[M+Na-2H]- 247.048896 154.5
[M]+ 226.07368142 147.2
[M]- 226.07477858 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

patents stripe