CID 170901910

2940951-96-0

Structural Information

Molecular Formula

C₁₁H₁₁ClFN₃O₂S

SMILES

CC(C)(C)OC(=O)NC1=NC2=C(S1)C(=CN=C2Cl)F

InChI

InChI=1S/C11H11ClFN3O2S/c1-11(2,3)18-10(17)16-9-15-6-7(19-9)5(13)4-14-8(6)12/h4H,1-3H3,(H,15,16,17)

InChIKey

OQUVTEAYBZSDMR-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chloro-7-fluoro-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 303.02444 Da
Monoisotopic Mass: 3.3
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]+	304.031716	163.9
[M+Na]+	326.013658	176.0
[M-H]-	302.017164	166.1
[M+NH4]+	321.058263	181.3
[M+K]+	341.987598	171.2
[M+H-H2O]+	286.021700	157.5
[M+HCOO]-	348.022641	175.6
[M+CH3COO]-	362.038291	200.7
[M+Na-2H]-	323.999106	166.9
[M]+	303.02389142	171.0
[M]-	303.02498858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe