CID 5272148

4-amino-1-[(1r,2s,3r,4r)-2-amino-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H16N4O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)N)O)CO
InChI
InChI=1S/C10H16N4O3/c11-7-1-2-14(10(17)13-7)6-3-5(4-15)9(16)8(6)12/h1-2,5-6,8-9,15-16H,3-4,12H2,(H2,11,13,17)/t5-,6-,8+,9-/m1/s1
InChIKey
SYHCLWAQQJIUJE-MTSNSDSCSA-N
Compound name
4-amino-1-[(1R,2S,3R,4R)-2-amino-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.12224 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 152.6
[M+Na]+ 263.11146 160.8
[M-H]- 239.11496 154.2
[M+NH4]+ 258.15606 167.4
[M+K]+ 279.08540 156.8
[M+H-H2O]+ 223.11950 145.1
[M+HCOO]- 285.12044 172.1
[M+CH3COO]- 299.13609 192.0
[M+Na-2H]- 261.09691 152.8
[M]+ 240.12169 147.8
[M]- 240.12279 147.8
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.