CID 5273629

[(2r,3s,5s)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]methylcarbamic acid

Structural Information

Molecular Formula
C12H17N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)CNC(=O)O
InChI
InChI=1S/C12H17N3O6/c1-6-4-15(11(18)14-9(6)17)10-7(3-13-12(19)20)2-8(5-16)21-10/h4,7-8,10,13,16H,2-3,5H2,1H3,(H,19,20)(H,14,17,18)/t7-,8-,10+/m0/s1
InChIKey
PIVBBZOQAJXTFV-OYNCUSHFSA-N
Compound name
[(2R,3S,5S)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.11172 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11900 165.1
[M+Na]+ 322.10094 172.5
[M-H]- 298.10444 166.7
[M+NH4]+ 317.14554 175.8
[M+K]+ 338.07488 170.0
[M+H-H2O]+ 282.10898 157.6
[M+HCOO]- 344.10992 181.5
[M+CH3COO]- 358.12557 197.7
[M+Na-2H]- 320.08639 165.1
[M]+ 299.11117 164.5
[M]- 299.11227 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

literature stripe

Patent stripe

No patent data available for this compound.