CID 135485012

Nsc694767

Structural Information

Molecular Formula
C10H16N4O5S
SMILES
CSC1=NC(=C(C(=O)N1)NC2[C@H]([C@@H]([C@@H](O2)CO)O)O)N
InChI
InChI=1S/C10H16N4O5S/c1-20-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(2-15)19-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5+,6-,9?/m0/s1
InChIKey
DYJHKYXQMNRKKJ-JOMRYUAZSA-N
Compound name
4-amino-5-[[(3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08414 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09142 165.9
[M+Na]+ 327.07336 173.5
[M-H]- 303.07686 166.0
[M+NH4]+ 322.11796 176.2
[M+K]+ 343.04730 169.1
[M+H-H2O]+ 287.08140 159.1
[M+HCOO]- 349.08234 177.3
[M+CH3COO]- 363.09799 198.6
[M+Na-2H]- 325.05881 164.2
[M]+ 304.08359 164.5
[M]- 304.08469 164.5
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.