CID 496801

Nsc699347

Structural Information

Molecular Formula
C12H18N4O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)N(C)O
InChI
InChI=1S/C12H18N4O6/c1-6-4-16(12(20)14-10(6)18)9-3-7(8(5-17)22-9)13-11(19)15(2)21/h4,7-9,17,21H,3,5H2,1-2H3,(H,13,19)(H,14,18,20)/t7-,8+,9+/m0/s1
InChIKey
KFCKBSIUDZKUGZ-DJLDLDEBSA-N
Compound name
1-hydroxy-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12262 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12990 168.9
[M+Na]+ 337.11184 175.6
[M-H]- 313.11534 172.1
[M+NH4]+ 332.15644 179.4
[M+K]+ 353.08578 174.6
[M+H-H2O]+ 297.11988 160.9
[M+HCOO]- 359.12082 186.9
[M+CH3COO]- 373.13647 205.8
[M+Na-2H]- 335.09729 168.8
[M]+ 314.12207 168.8
[M]- 314.12317 168.8
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.