CID 462778

(5r,6r)-5-chloro-1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-6-methoxy-5-methyl-hexahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15ClN2O5
SMILES
C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO)OC)Cl
InChI
InChI=1S/C11H15ClN2O5/c1-11(12)8(16)13-10(17)14(9(11)18-2)7-4-3-6(5-15)19-7/h3-4,6-7,9,15H,5H2,1-2H3,(H,13,16,17)/t6-,7+,9+,11-/m0/s1
InChIKey
ZXJZXAHFVGSGNU-QJSROADHSA-N
Compound name
(5R,6R)-5-chloro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06696 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07424 159.8
[M+Na]+ 313.05618 168.9
[M-H]- 289.05968 162.2
[M+NH4]+ 308.10078 174.9
[M+K]+ 329.03012 165.9
[M+H-H2O]+ 273.06422 154.4
[M+HCOO]- 335.06516 170.3
[M+CH3COO]- 349.08081 193.3
[M+Na-2H]- 311.04163 160.6
[M]+ 290.06641 160.8
[M]- 290.06751 160.8
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.