CID 28932067

2-(3-methoxyphenyl)-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)N
InChI
InChI=1S/C14H12N2O2/c1-17-11-4-2-3-9(7-11)14-16-12-6-5-10(15)8-13(12)18-14/h2-8H,15H2,1H3
InChIKey
MQXWPPVVKWYMEZ-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 151.0
[M+Na]+ 263.079088 162.0
[M-H]- 239.082594 158.9
[M+NH4]+ 258.123693 168.7
[M+K]+ 279.053028 158.9
[M+H-H2O]+ 223.087130 143.5
[M+HCOO]- 285.088071 176.1
[M+CH3COO]- 299.103721 165.1
[M+Na-2H]- 261.064536 158.4
[M]+ 240.08932142 154.7
[M]- 240.09041858 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.