CID 462777

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

Structural Information

Molecular Formula
C11H15BrN2O5
SMILES
C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO)OC)Br
InChI
InChI=1S/C11H15BrN2O5/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
VRIIJEUEPZSYMU-QJSROADHSA-N
Compound name
(5R,6R)-5-bromo-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

334.01642 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02370 162.7
[M+Na]+ 357.00564 173.7
[M-H]- 333.00914 167.6
[M+NH4]+ 352.05024 179.0
[M+K]+ 372.97958 163.8
[M+H-H2O]+ 317.01368 162.7
[M+HCOO]- 379.01462 175.8
[M+CH3COO]- 393.03027 198.9
[M+Na-2H]- 354.99109 165.2
[M]+ 334.01587 180.7
[M]- 334.01697 180.7
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.