CID 462779

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

Structural Information

Molecular Formula
C11H15IN2O5
SMILES
C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO)OC)I
InChI
InChI=1S/C11H15IN2O5/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
KSZZSZLFGLKJMU-QJSROADHSA-N
Compound name
(5R,6R)-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-iodo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.00256 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00984 166.0
[M+Na]+ 404.99178 167.2
[M-H]- 380.99528 161.5
[M+NH4]+ 400.03638 176.2
[M+K]+ 420.96572 171.4
[M+H-H2O]+ 364.99982 156.4
[M+HCOO]- 427.00076 176.2
[M+CH3COO]- 441.01641 200.3
[M+Na-2H]- 402.97723 155.3
[M]+ 382.00201 162.8
[M]- 382.00311 162.8
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.