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

7
Patents

308.01193 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01921 167.2
[M+Na]+ 331.00115 180.8
[M-H]- 307.00465 174.4
[M+NH4]+ 326.04575 183.8
[M+K]+ 346.97509 175.0
[M+H-H2O]+ 291.00919 160.8
[M+HCOO]- 353.01013 182.0
[M+CH3COO]- 367.02578 180.4
[M+Na-2H]- 328.98660 171.4
[M]+ 308.01138 174.9
[M]- 308.01248 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