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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.176126	169.6
[M+Na]+	320.158068	177.0
[M-H]-	296.161574	172.0
[M+NH4]+	315.202673	181.5
[M+K]+	336.132008	173.5
[M+H-H2O]+	280.166110	161.6
[M+HCOO]-	342.167051	187.3
[M+CH3COO]-	356.182701	201.4
[M+Na-2H]-	318.143516	169.8
[M]+	297.16830142	170.1
[M]-	297.16939858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.