CID 456110

Nsc664938

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N(C)O
InChI
InChI=1S/C11H17N3O5/c1-6-4-14(11(17)12-10(6)16)9-3-7(13(2)18)8(5-15)19-9/h4,7-9,15,18H,3,5H2,1-2H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
OXHBZWHMSGJLFU-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[hydroxy(methyl)amino]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11682 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 158.6
[M+Na]+ 294.10604 166.9
[M-H]- 270.10954 161.7
[M+NH4]+ 289.15064 171.4
[M+K]+ 310.07998 165.3
[M+H-H2O]+ 254.11408 151.2
[M+HCOO]- 316.11502 176.5
[M+CH3COO]- 330.13067 195.7
[M+Na-2H]- 292.09149 159.4
[M]+ 271.11627 158.9
[M]- 271.11737 158.9
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.