CID 512175

5-amino-1-[(1r,2r,4s)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(C(=O)NC2=O)N)O)CO
InChI
InChI=1S/C10H15N3O4/c11-6-3-13(10(17)12-9(6)16)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4,11H2,(H,12,16,17)/t5-,7+,8+/m0/s1
InChIKey
IHMQPKOBJLKNQT-UIISKDMLSA-N
Compound name
5-amino-1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 151.6
[M+Na]+ 264.09548 160.3
[M-H]- 240.09898 152.3
[M+NH4]+ 259.14008 166.1
[M+K]+ 280.06942 155.7
[M+H-H2O]+ 224.10352 144.6
[M+HCOO]- 286.10446 169.5
[M+CH3COO]- 300.12011 186.5
[M+Na-2H]- 262.08093 151.8
[M]+ 241.10571 147.3
[M]- 241.10681 147.3
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.