CID 3012250

(1s)-1,4-anhydro-1-c-(2,4-difluoro-5-methylphenyl)-d-ribitol

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O5S/c1-4-2-12(10(18)11-8(4)16)9-7(15)6(14)5(3-13)17-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,18)/t5-,6-,7+,9-/m1/s1
InChIKey
SNNBPMAXGYBMHM-JAGXHNFQSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.06235 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 158.5
[M+Na]+ 297.05157 168.4
[M-H]- 273.05507 159.3
[M+NH4]+ 292.09617 171.1
[M+K]+ 313.02551 163.9
[M+H-H2O]+ 257.05961 152.9
[M+HCOO]- 319.06055 168.8
[M+CH3COO]- 333.07620 187.2
[M+Na-2H]- 295.03702 156.2
[M]+ 274.06180 158.9
[M]- 274.06290 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.