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

255
Patents

213.98708 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99436 141.7
[M+Na]+ 236.97630 153.9
[M-H]- 212.97980 145.3
[M+NH4]+ 232.02090 164.1
[M+K]+ 252.95024 149.5
[M+H-H2O]+ 196.98434 137.7
[M+HCOO]- 258.98528 157.0
[M+CH3COO]- 273.00093 155.6
[M+Na-2H]- 234.96175 142.7
[M]+ 213.98653 146.1
[M]- 213.98763 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe