CID 43114849

1864054-39-6

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3O2)N
InChI
InChI=1S/C15H14N2O/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2
InChIKey
GWKGYASZSOICTO-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 152.3
[M+Na]+ 261.099828 160.8
[M-H]- 237.103334 159.3
[M+NH4]+ 256.144433 169.4
[M+K]+ 277.073768 157.3
[M+H-H2O]+ 221.107870 144.4
[M+HCOO]- 283.108811 175.8
[M+CH3COO]- 297.124461 165.3
[M+Na-2H]- 259.085276 159.5
[M]+ 238.11006142 153.4
[M]- 238.11115858 153.4
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

No patent data available for this compound.