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 157.1
[M+Na]+ 315.01034 166.1
[M-H]- 291.01384 163.3
[M+NH4]+ 310.05494 173.6
[M+K]+ 330.98428 153.8
[M+H-H2O]+ 275.01838 155.2
[M+HCOO]- 337.01932 176.7
[M+CH3COO]- 351.03497 197.4
[M+Na-2H]- 312.99579 164.6
[M]+ 292.02057 173.7
[M]- 292.02167 173.7
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.