CID 1551236

Mls002704089

Structural Information

Molecular Formula

C₁₀H₈N₂OS

SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N

InChI

InChI=1S/C10H8N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)/b8-6-

InChIKey

SRILECHSVYTLLS-VURMDHGXSA-N

Compound name

(5Z)-2-amino-5-benzylidene-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.03574 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]+	205.04302	143.3
[M+Na]+	227.02496	155.2
[M+NH4]+	222.06956	152.0
[M+K]+	242.99890	148.4
[M-H]-	203.02846	147.0
[M+Na-2H]-	225.01041	150.0
[M]+	204.03519	146.3
[M]-	204.03629	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.