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]+ 241.09715 151.0
[M+Na]+ 263.07909 162.0
[M-H]- 239.08259 158.9
[M+NH4]+ 258.12369 168.7
[M+K]+ 279.05303 158.9
[M+H-H2O]+ 223.08713 143.5
[M+HCOO]- 285.08807 176.1
[M+CH3COO]- 299.10372 165.1
[M+Na-2H]- 261.06454 158.4
[M]+ 240.08932 154.7
[M]- 240.09042 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.