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]+ 227.11388 146.7
[M+Na]+ 249.09582 155.1
[M-H]- 225.09932 150.0
[M+NH4]+ 244.14042 163.0
[M+K]+ 265.06976 153.2
[M+H-H2O]+ 209.10386 139.5
[M+HCOO]- 271.10480 167.3
[M+CH3COO]- 285.12045 188.2
[M+Na-2H]- 247.08127 151.3
[M]+ 226.10605 143.6
[M]- 226.10715 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.