CID 512178

1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CNC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO
InChI
InChI=1S/C11H17N3O5/c1-12-6-3-14(11(19)13-10(6)18)7-2-5(4-15)8(16)9(7)17/h3,5,7-9,12,15-17H,2,4H2,1H3,(H,13,18,19)/t5-,7-,8-,9+/m1/s1
InChIKey
VOLNGEAGCNDJOZ-YYNOVJQHSA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.11682 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 158.6
[M+Na]+ 294.10604 167.0
[M-H]- 270.10954 158.7
[M+NH4]+ 289.15064 171.6
[M+K]+ 310.07998 162.5
[M+H-H2O]+ 254.11408 151.8
[M+HCOO]- 316.11502 175.4
[M+CH3COO]- 330.13067 191.7
[M+Na-2H]- 292.09149 158.4
[M]+ 271.11627 155.7
[M]- 271.11737 155.7
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.