CID 39869190

2411261-65-7

Structural Information

Molecular Formula

C₁₀H₈N₄S

SMILES

C1=CC2=C(NC=C2C3=CSC(=N3)N)N=C1

InChI

InChI=1S/C10H8N4S/c11-10-14-8(5-15-10)7-4-13-9-6(7)2-1-3-12-9/h1-5H,(H2,11,14)(H,12,13)

InChIKey

KICXBMZWAWIRER-UHFFFAOYSA-N

Compound name

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 216.04697 Da
Monoisotopic Mass: 1.7
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]+	217.05425	142.3
[M+Na]+	239.03619	155.5
[M+NH4]+	234.08079	151.2
[M+K]+	255.01013	150.7
[M-H]-	215.03969	145.5
[M+Na-2H]-	237.02164	149.7
[M]+	216.04642	145.4
[M]-	216.04752	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe