CID 492030

1,5-anhydro-2-(cytosin-1-yl)-2,3-dideoxy-d-ribohexitol

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@H](CO[C@@H]([C@H]1O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O4/c11-9-1-2-13(10(16)12-9)6-3-7(15)8(4-14)17-5-6/h1-2,6-8,14-15H,3-5H2,(H2,11,12,16)/t6-,7+,8-/m1/s1
InChIKey
NDVIZLWDQQFOBJ-GJMOJQLCSA-N
Compound name
4-amino-1-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

241.10626 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 154.1
[M+Na]+ 264.09548 161.4
[M-H]- 240.09898 155.9
[M+NH4]+ 259.14008 165.8
[M+K]+ 280.06942 159.1
[M+H-H2O]+ 224.10352 145.8
[M+HCOO]- 286.10446 170.2
[M+CH3COO]- 300.12011 188.8
[M+Na-2H]- 262.08093 157.5
[M]+ 241.10571 150.4
[M]- 241.10681 150.4
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

No patent data available for this compound.