CID 496566

Nsc694144

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₅

SMILES

CC1N([C@@H]2C[C@@H](O[C@@H]2CO1)N3C=C(C(=O)NC3=O)C)O

InChI

InChI=1S/C12H17N3O5/c1-6-4-14(12(17)13-11(6)16)10-3-8-9(20-10)5-19-7(2)15(8)18/h4,7-10,18H,3,5H2,1-2H3,(H,13,16,17)/t7?,8-,9-,10-/m1/s1

InChIKey

AEFHKJLXHHRRMZ-NPTNVHDASA-N

Compound name

1-[(4aS,6R,7aR)-1-hydroxy-2-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.11682 Da
Monoisotopic Mass: -0.4
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]+	284.124096	164.5
[M+Na]+	306.106038	174.0
[M-H]-	282.109544	167.4
[M+NH4]+	301.150643	175.4
[M+K]+	322.079978	172.0
[M+H-H2O]+	266.114080	156.8
[M+HCOO]-	328.115021	176.5
[M+CH3COO]-	342.130671	195.9
[M+Na-2H]-	304.091486	165.5
[M]+	283.11627142	164.1
[M]-	283.11736858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.