CID 45788703

4-(5-bromopyridin-2-yl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula

C₈H₆BrN₃S

SMILES

C1=CC(=NC=C1Br)C2=CSC(=N2)N

InChI

InChI=1S/C8H6BrN3S/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7/h1-4H,(H2,10,12)

InChIKey

NCVREHFAYABZBB-UHFFFAOYSA-N

Compound name

4-(5-bromopyridin-2-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.94658 Da
Monoisotopic Mass: 1.9
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]+	255.95386	138.7
[M+Na]+	277.93580	142.5
[M+NH4]+	272.98040	144.1
[M+K]+	293.90974	142.3
[M-H]-	253.93930	140.9
[M+Na-2H]-	275.92125	143.8
[M]+	254.94603	139.0
[M]-	254.94713	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe