CID 43933

2-phenyl-6-benzoxazoleethylamine hydrochloride

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CCN
InChI
InChI=1S/C15H14N2O/c16-9-8-11-6-7-13-14(10-11)18-15(17-13)12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKey
BHSFXFKNDUVYKU-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.6
[M+Na]+ 261.09983 168.2
[M+NH4]+ 256.14443 162.0
[M+K]+ 277.07377 161.9
[M-H]- 237.10333 159.3
[M+Na-2H]- 259.08528 161.9
[M]+ 238.11006 156.9
[M]- 238.11116 156.9
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

No patent data available for this compound.