CID 483949

7-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-2,3,5,7-tetrahydro-5,7-diazaindene-4,6-dione

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C1CC2=C(C1)N(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](S3)CO)O
InChI
InChI=1S/C12H16N2O4S/c15-5-9-8(16)4-10(19-9)14-7-3-1-2-6(7)11(17)13-12(14)18/h8-10,15-16H,1-5H2,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
BEXVVZTYIUEVCO-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 162.3
[M+Na]+ 307.07229 171.6
[M-H]- 283.07579 164.5
[M+NH4]+ 302.11689 179.2
[M+K]+ 323.04623 166.6
[M+H-H2O]+ 267.08033 157.5
[M+HCOO]- 329.08127 173.7
[M+CH3COO]- 343.09692 173.1
[M+Na-2H]- 305.05774 159.3
[M]+ 284.08252 161.8
[M]- 284.08362 161.8
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

No patent data available for this compound.