CID 721087

293737-88-9

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N)Br
InChI
InChI=1S/C14H11BrN2O2/c1-18-12-4-2-8(6-10(12)15)14-17-11-7-9(16)3-5-13(11)19-14/h2-7H,16H2,1H3
InChIKey
HWWOENRGDFNVIY-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

318.0004 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 164.5
[M+Na]+ 340.98962 178.5
[M-H]- 316.99312 174.7
[M+NH4]+ 336.03422 182.9
[M+K]+ 356.96356 167.6
[M+H-H2O]+ 300.99766 163.1
[M+HCOO]- 362.99860 186.7
[M+CH3COO]- 377.01425 179.6
[M+Na-2H]- 338.97507 171.5
[M]+ 317.99985 186.7
[M]- 318.00095 186.7
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