CID 3000761

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

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CNC1=NC(=O)N(C=C1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO
InChI
InChI=1S/C11H17N3O4/c1-12-8-2-3-14(11(18)13-8)7-4-6(5-15)9(16)10(7)17/h2-3,6-7,9-10,15-17H,4-5H2,1H3,(H,12,13,18)/t6-,7-,9-,10+/m1/s1
InChIKey
LTJIXJRQWILFCQ-ZXZZCXTASA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 155.9
[M+Na]+ 278.111118 163.8
[M-H]- 254.114624 156.9
[M+NH4]+ 273.155723 170.1
[M+K]+ 294.085058 160.1
[M+H-H2O]+ 238.119160 148.7
[M+HCOO]- 300.120101 173.9
[M+CH3COO]- 314.135751 190.7
[M+Na-2H]- 276.096566 156.7
[M]+ 255.12135142 153.6
[M]- 255.12244858 153.6
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.