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]+ 226.118616 147.3
[M+Na]+ 248.100558 156.2
[M-H]- 224.104064 151.0
[M+NH4]+ 243.145163 164.3
[M+K]+ 264.074498 154.4
[M+H-H2O]+ 208.108600 140.3
[M+HCOO]- 270.109541 167.1
[M+CH3COO]- 284.125191 186.4
[M+Na-2H]- 246.086006 151.8
[M]+ 225.11079142 146.2
[M]- 225.11188858 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.