CID 54595136

4-(1,3-benzoxazol-2-yloxy)aniline

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)OC3=CC=C(C=C3)N
InChI
InChI=1S/C13H10N2O2/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H,14H2
InChIKey
MCQYHZVIZDWZLQ-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.07423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 145.6
[M+Na]+ 249.063448 156.2
[M-H]- 225.066954 153.2
[M+NH4]+ 244.108053 163.5
[M+K]+ 265.037388 153.2
[M+H-H2O]+ 209.071490 138.0
[M+HCOO]- 271.072431 171.1
[M+CH3COO]- 285.088081 159.8
[M+Na-2H]- 247.048896 154.4
[M]+ 226.07368142 148.5
[M]- 226.07477858 148.5
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