CID 23519664

68707-89-1

Structural Information

Molecular Formula
C10H15N3O6
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)(CO)CO)O)O
InChI
InChI=1S/C10H15N3O6/c11-5-1-2-13(9(18)12-5)8-6(16)7(17)10(3-14,4-15)19-8/h1-2,6-8,14-17H,3-4H2,(H2,11,12,18)/t6-,7+,8-/m1/s1
InChIKey
SPCHTQNGTJVDME-GJMOJQLCSA-N
Compound name
4-amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

273.0961 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10338 156.9
[M+Na]+ 296.08532 165.4
[M-H]- 272.08882 157.1
[M+NH4]+ 291.12992 169.9
[M+K]+ 312.05926 163.2
[M+H-H2O]+ 256.09336 150.7
[M+HCOO]- 318.09430 172.5
[M+CH3COO]- 332.10995 189.8
[M+Na-2H]- 294.07077 159.2
[M]+ 273.09555 155.5
[M]- 273.09665 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.