CID 9470

Fenyramidol

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O
InChI
InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)
InChIKey
ZEAJXCPGHPJVNP-UHFFFAOYSA-N
Compound name
1-phenyl-2-(pyridin-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

6240
Patents

214.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 148.6
[M+Na]+ 237.09983 162.0
[M+NH4]+ 232.14443 157.1
[M+K]+ 253.07377 154.7
[M-H]- 213.10333 153.0
[M+Na-2H]- 235.08528 158.5
[M]+ 214.11006 151.7
[M]- 214.11116 151.7
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

patents stripe