CID 22337487

374824-28-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂S

SMILES

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

InChI

InChI=1S/C12H12N2S/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2

InChIKey

ZWIKGWINLWHWRV-UHFFFAOYSA-N

Compound name

2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 216.07211 Da
Monoisotopic Mass: 2.1
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]+	217.07939	145.0
[M+Na]+	239.06133	158.5
[M+NH4]+	234.10593	155.3
[M+K]+	255.03527	150.3
[M-H]-	215.06483	149.1
[M+Na-2H]-	237.04678	152.6
[M]+	216.07156	148.6
[M]-	216.07266	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe