CID 74033

N-aminorhodanine

Structural Information

Molecular Formula

C₃H₄N₂OS₂

SMILES

C1C(=O)N(C(=S)S1)N

InChI

InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2

InChIKey

ZBUUHLDYMKTVLT-UHFFFAOYSA-N

Compound name

3-amino-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 395
Patents: 147.9765 Da
Monoisotopic Mass: 0.1
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]+	148.983776	125.5
[M+Na]+	170.965718	135.3
[M-H]-	146.969224	127.7
[M+NH4]+	166.010323	147.6
[M+K]+	186.939658	131.8
[M+H-H2O]+	130.973760	120.5
[M+HCOO]-	192.974701	138.2
[M+CH3COO]-	206.990351	172.2
[M+Na-2H]-	168.951166	124.6
[M]+	147.97595142	123.8
[M]-	147.97704858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe