CID 62542130

1282816-13-0

Structural Information

Molecular Formula

C₁₃H₁₅N₃S

SMILES

C1CCNC(C1)C2=NC(=CS2)C3=CC=CC=N3

InChI

InChI=1S/C13H15N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1,3,5,7,9,11,15H,2,4,6,8H2

InChIKey

YDUOLTIXGCXRIS-UHFFFAOYSA-N

Compound name

2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 245.09866 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]+	246.10594	153.6
[M+Na]+	268.08788	160.5
[M-H]-	244.09138	157.7
[M+NH4]+	263.13248	168.2
[M+K]+	284.06182	154.9
[M+H-H2O]+	228.09592	144.7
[M+HCOO]-	290.09686	166.2
[M+CH3COO]-	304.11251	164.1
[M+Na-2H]-	266.07333	154.5
[M]+	245.09811	149.0
[M]-	245.09921	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe