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

literature stripe

Patent stripe

patents stripe