CID 477594

Selenophenfurin

Structural Information

Molecular Formula

C₁₀H₁₃NO₅Se

SMILES

C1=C([Se]C=C1C(=O)N)C2C(C(C(O2)CO)O)O

InChI

InChI=1S/C10H13NO5Se/c11-10(15)4-1-6(17-3-4)9-8(14)7(13)5(2-12)16-9/h1,3,5,7-9,12-14H,2H2,(H2,11,15)

InChIKey

WWPFTXUYJRVAIJ-UHFFFAOYSA-N

Compound name

5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]selenophene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 17
Patents: 306.99588 Da
Monoisotopic Mass: None
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]+	308.00316	163.8
[M+Na]+	329.98510	169.7
[M-H]-	305.98860	166.9
[M+NH4]+	325.02970	180.3
[M+K]+	345.95904	167.7
[M+H-H2O]+	289.99314	158.4
[M+HCOO]-	351.99408	182.0
[M+CH3COO]-	366.00973	189.1
[M+Na-2H]-	327.97055	161.1
[M]+	306.99533	161.2
[M]-	306.99643	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe