CID 10262683

Holomycin

Structural Information

Molecular Formula

C₇H₆N₂O₂S₂

SMILES

CC(=O)NC1=C2C(=CSS2)NC1=O

InChI

InChI=1S/C7H6N2O2S2/c1-3(10)8-5-6-4(2-12-13-6)9-7(5)11/h2H,1H3,(H,8,10)(H,9,11)

InChIKey

HBUNPJGMNVQSBX-UHFFFAOYSA-N

Compound name

N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 35
References: 317
Patents: 213.98708 Da
Monoisotopic Mass: -0.8
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]+	214.99436	143.4
[M+Na]+	236.97630	152.6
[M+NH4]+	232.02090	151.5
[M+K]+	252.95024	147.7
[M-H]-	212.97980	144.0
[M+Na-2H]-	234.96175	145.9
[M]+	213.98653	145.4
[M]-	213.98763	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe