CID 9816617

Thiophenfurin

Structural Information

Molecular Formula
C10H13NO5S
SMILES
C1=C(SC=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H13NO5S/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)/t5-,7-,8-,9+/m1/s1
InChIKey
ZMZVQYZXVGKLML-YYNOVJQHSA-N
Compound name
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

150
Patents

259.05145 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 155.7
[M+Na]+ 282.04067 162.7
[M-H]- 258.04417 159.5
[M+NH4]+ 277.08527 172.8
[M+K]+ 298.01461 160.4
[M+H-H2O]+ 242.04871 151.5
[M+HCOO]- 304.04965 170.0
[M+CH3COO]- 318.06530 187.6
[M+Na-2H]- 280.02612 152.4
[M]+ 259.05090 155.4
[M]- 259.05200 155.4
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