CID 41175

2-phenyl-5-benzoxazoleethylamine monohydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 152.0
[M+Na]+ 261.09983 161.9
[M-H]- 237.10333 159.3
[M+NH4]+ 256.14443 169.6
[M+K]+ 277.07377 157.8
[M+H-H2O]+ 221.10787 144.2
[M+HCOO]- 283.10881 176.6
[M+CH3COO]- 297.12446 165.5
[M+Na-2H]- 259.08528 159.6
[M]+ 238.11006 154.2
[M]- 238.11116 154.2
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