CID 721130

2-(3,5-dichloro-4-methoxyphenyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C14H10Cl2N2O2
SMILES
COC1=C(C=C(C=C1Cl)C2=NC3=C(O2)C=CC(=C3)N)Cl
InChI
InChI=1S/C14H10Cl2N2O2/c1-19-13-9(15)4-7(5-10(13)16)14-18-11-6-8(17)2-3-12(11)20-14/h2-6H,17H2,1H3
InChIKey
IBJFJARRFBXCTA-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-4-methoxyphenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.01193 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.019206 167.2
[M+Na]+ 331.001148 180.8
[M-H]- 307.004654 174.4
[M+NH4]+ 326.045753 183.8
[M+K]+ 346.975088 175.0
[M+H-H2O]+ 291.009190 160.8
[M+HCOO]- 353.010131 182.0
[M+CH3COO]- 367.025781 180.4
[M+Na-2H]- 328.986596 171.4
[M]+ 308.01138142 174.9
[M]- 308.01247858 174.9
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