CID 24252973

1004527-73-4

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂S

SMILES

C1CNCC2=C1N=C(S2)C3=CC=CC=C3Cl

InChI

InChI=1S/C12H11ClN2S/c13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2

InChIKey

PQNFPLYNISMMRP-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.03314 Da
Monoisotopic Mass: 2.7
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]+	251.040416	151.8
[M+Na]+	273.022358	161.7
[M-H]-	249.025864	155.6
[M+NH4]+	268.066963	170.2
[M+K]+	288.996298	154.9
[M+H-H2O]+	233.030400	145.4
[M+HCOO]-	295.031341	161.1
[M+CH3COO]-	309.046991	163.6
[M+Na-2H]-	271.007806	153.9
[M]+	250.03259142	151.5
[M]-	250.03368858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe