CID 469790

(+-)-cis-1-(4-amino-4-hydroxymethyl-3h,5h-tetrahydrofuran-2-yl)cytosine

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1C(OC[C@]1(CO)N)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H14N4O3/c10-6-1-2-13(8(15)12-6)7-3-9(11,4-14)5-16-7/h1-2,7,14H,3-5,11H2,(H2,10,12,15)/t7?,9-/m0/s1
InChIKey
PIWPLKMGWJWVNJ-NETXQHHPSA-N
Compound name
4-amino-1-[(4S)-4-amino-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.1066 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.113876 146.7
[M+Na]+ 249.095818 155.1
[M-H]- 225.099324 150.0
[M+NH4]+ 244.140423 163.0
[M+K]+ 265.069758 153.2
[M+H-H2O]+ 209.103860 139.5
[M+HCOO]- 271.104801 167.3
[M+CH3COO]- 285.120451 188.2
[M+Na-2H]- 247.081266 151.3
[M]+ 226.10605142 143.6
[M]- 226.10714858 143.6
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.