CID 3009327

2,4(1h,3h)-pyrimidinedione, 1-[(2r,3as,6as)-hexahydrofuro[3,4-b]furan-2-yl]-5-methyl-

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3COC[C@H]3O2

InChI

InChI=1S/C11H14N2O4/c1-6-3-13(11(15)12-10(6)14)9-2-7-4-16-5-8(7)17-9/h3,7-9H,2,4-5H2,1H3,(H,12,14,15)/t7-,8+,9+/m0/s1

InChIKey

XINUJQFEBUXLCA-DJLDLDEBSA-N

Compound name

1-[(2R,3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.09535 Da
Monoisotopic Mass: -0.3
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]+	239.102626	149.2
[M+Na]+	261.084568	158.8
[M-H]-	237.088074	154.8
[M+NH4]+	256.129173	165.7
[M+K]+	277.058508	157.6
[M+H-H2O]+	221.092610	143.3
[M+HCOO]-	283.093551	166.7
[M+CH3COO]-	297.109201	162.1
[M+Na-2H]-	259.070016	151.3
[M]+	238.09480142	149.7
[M]-	238.09589858	149.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.