CID 3005853

Nsc651035

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C(O2)CO)CCCO
InChI
InChI=1S/C13H20N2O5/c1-8-6-15(13(19)14-12(8)18)11-5-9(3-2-4-16)10(7-17)20-11/h6,9-11,16-17H,2-5,7H2,1H3,(H,14,18,19)/t9-,10?,11-/m0/s1
InChIKey
GZWIAXFTACEFKO-JRUYECLLSA-N
Compound name
1-[(2S,4S)-5-(hydroxymethyl)-4-(3-hydroxypropyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 163.9
[M+Na]+ 307.12642 172.1
[M-H]- 283.12992 165.2
[M+NH4]+ 302.17102 175.9
[M+K]+ 323.10036 168.7
[M+H-H2O]+ 267.13446 156.6
[M+HCOO]- 329.13540 179.6
[M+CH3COO]- 343.15105 193.1
[M+Na-2H]- 305.11187 163.8
[M]+ 284.13665 164.4
[M]- 284.13775 164.4
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.