CID 929669

303091-51-2

Structural Information

Molecular Formula

C₁₃H₁₃BrN₂O

SMILES

CC1=CC(=NC=C1)NCC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H13BrN2O/c1-9-4-5-15-13(6-9)16-8-10-7-11(14)2-3-12(10)17/h2-7,17H,8H2,1H3,(H,15,16)

InChIKey

SHAPZFMTIWZTAS-UHFFFAOYSA-N

Compound name

4-bromo-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.02112 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.028396	156.7
[M+Na]+	315.010338	167.7
[M-H]-	291.013844	163.6
[M+NH4]+	310.054943	173.9
[M+K]+	330.984278	155.0
[M+H-H2O]+	275.018380	154.9
[M+HCOO]-	337.019321	177.2
[M+CH3COO]-	351.034971	198.8
[M+Na-2H]-	312.995786	163.9
[M]+	292.02057142	174.6
[M]-	292.02166858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe