CID 13929

Alpha-(((5-bromo-2-pyridyl)amino)methyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
C1=CC=C(C=C1)C(CNC2=NC=C(C=C2)Br)O
InChI
InChI=1S/C13H13BrN2O/c14-11-6-7-13(15-8-11)16-9-12(17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16)
InChIKey
ZQBSPOVOXRBICI-UHFFFAOYSA-N
Compound name
2-[(5-bromopyridin-2-yl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02112 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 157.5
[M+Na]+ 315.01034 161.4
[M+NH4]+ 310.05494 162.0
[M+K]+ 330.98428 160.5
[M-H]- 291.01384 159.9
[M+Na-2H]- 312.99579 163.1
[M]+ 292.02057 157.5
[M]- 292.02167 157.5
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.