CID 452801

2bunhdt

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCCCN[C@@H]1C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO
InChI
InChI=1S/C14H23N3O4/c1-3-4-5-15-11-6-10(8-18)21-13(11)17-7-9(2)12(19)16-14(17)20/h7,10-11,13,15,18H,3-6,8H2,1-2H3,(H,16,19,20)/t10-,11+,13+/m0/s1
InChIKey
HHHGOXUFXPIQGB-DMDPSCGWSA-N
Compound name
1-[(2R,3R,5S)-3-(butylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.16885 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17613 169.6
[M+Na]+ 320.15807 177.0
[M-H]- 296.16157 172.0
[M+NH4]+ 315.20267 181.5
[M+K]+ 336.13201 173.5
[M+H-H2O]+ 280.16611 161.6
[M+HCOO]- 342.16705 187.3
[M+CH3COO]- 356.18270 201.4
[M+Na-2H]- 318.14352 169.8
[M]+ 297.16830 170.1
[M]- 297.16940 170.1
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.