CID 170341

Antazonite

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S₂

SMILES

CC(=O)N=C1N(C=CS1)CC(C2=CC=CS2)O

InChI

InChI=1S/C11H12N2O2S2/c1-8(14)12-11-13(4-6-17-11)7-9(15)10-3-2-5-16-10/h2-6,9,15H,7H2,1H3

InChIKey

TWOQVRDPCSGVLB-UHFFFAOYSA-N

Compound name

N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-1,3-thiazol-2-ylidene]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 82
Patents: 268.03403 Da
Monoisotopic Mass: 1.1
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]+	269.041306	160.0
[M+Na]+	291.023248	169.9
[M-H]-	267.026754	166.8
[M+NH4]+	286.067853	179.5
[M+K]+	306.997188	165.9
[M+H-H2O]+	251.031290	153.9
[M+HCOO]-	313.032231	176.2
[M+CH3COO]-	327.047881	192.8
[M+Na-2H]-	289.008696	158.1
[M]+	268.03348142	164.9
[M]-	268.03457858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe