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

12
Patents

241.10626 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 154.1
[M+Na]+ 264.095478 161.4
[M-H]- 240.098984 155.9
[M+NH4]+ 259.140083 165.8
[M+K]+ 280.069418 159.1
[M+H-H2O]+ 224.103520 145.8
[M+HCOO]- 286.104461 170.2
[M+CH3COO]- 300.120111 188.8
[M+Na-2H]- 262.080926 157.5
[M]+ 241.10571142 150.4
[M]- 241.10680858 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.