CID 320193

62805-43-0

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C10H15N3O4/c11-7-1-2-13(10(17)12-7)6-3-5(4-14)8(15)9(6)16/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)/t5-,6-,8-,9+/m0/s1
InChIKey
UAZJPMMKWBPACD-UXXCCHNYSA-N
Compound name
4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

213
Patents

241.10626 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.0
[M+Na]+ 264.09548 160.4
[M-H]- 240.09898 152.7
[M+NH4]+ 259.14008 166.6
[M+K]+ 280.06942 156.6
[M+H-H2O]+ 224.10352 145.0
[M+HCOO]- 286.10446 169.8
[M+CH3COO]- 300.12011 187.2
[M+Na-2H]- 262.08093 152.3
[M]+ 241.10571 148.4
[M]- 241.10681 148.4
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

patents stripe