CID 6861431

2-formylthiophene thiosemicarbazone

Structural Information

Molecular Formula

C₆H₇N₃S₂

SMILES

C1=CSC(=C1)/C=N/NC(=S)N

InChI

InChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+

InChIKey

YNTKURSKMLATKI-XBXARRHUSA-N

Compound name

[(E)-thiophen-2-ylmethylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 31
Patents: 185.00813 Da
Monoisotopic Mass: 1.5
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]+	186.01541	136.0
[M+Na]+	207.99735	143.4
[M-H]-	184.00085	140.3
[M+NH4]+	203.04195	157.4
[M+K]+	223.97129	139.2
[M+H-H2O]+	168.00539	129.2
[M+HCOO]-	230.00633	153.6
[M+CH3COO]-	244.02198	185.3
[M+Na-2H]-	205.98280	137.5
[M]+	185.00758	134.9
[M]-	185.00868	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe