CID 456329

1-[2,3-dideoxy-3-c-(hydroxymethyl)-3-c-methyl-.beta.-d-glycero-tetrafuranosyl]cytosine

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C[C@]1(C[C@@H](OC1)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H15N3O3/c1-10(5-14)4-8(16-6-10)13-3-2-7(11)12-9(13)15/h2-3,8,14H,4-6H2,1H3,(H2,11,12,15)/t8-,10+/m1/s1
InChIKey
VPYDRHXAZADNJC-SCZZXKLOSA-N
Compound name
4-amino-1-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 147.3
[M+Na]+ 248.10056 156.2
[M-H]- 224.10406 151.0
[M+NH4]+ 243.14516 164.3
[M+K]+ 264.07450 154.4
[M+H-H2O]+ 208.10860 140.3
[M+HCOO]- 270.10954 167.1
[M+CH3COO]- 284.12519 186.4
[M+Na-2H]- 246.08601 151.8
[M]+ 225.11079 146.2
[M]- 225.11189 146.2
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.