CID 135485011

Nsc694764

Structural Information

Molecular Formula
C10H16N4O6
SMILES
COC1=NC(=C(C(=O)N1)NC2[C@H]([C@@H]([C@@H](O2)CO)O)O)N
InChI
InChI=1S/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(2-15)20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5+,6-,9?/m0/s1
InChIKey
KWNLCXYORSLHIP-JOMRYUAZSA-N
Compound name
4-amino-5-[[(3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.107 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11428 162.2
[M+Na]+ 311.09622 169.6
[M-H]- 287.09972 162.5
[M+NH4]+ 306.14082 172.4
[M+K]+ 327.07016 167.1
[M+H-H2O]+ 271.10426 154.6
[M+HCOO]- 333.10520 178.7
[M+CH3COO]- 347.12085 197.5
[M+Na-2H]- 309.08167 162.8
[M]+ 288.10645 160.0
[M]- 288.10755 160.0
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.