CID 462781

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

Structural Information

Molecular Formula
C10H12BrN5O4
SMILES
C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO)N=[N+]=[N-])Br
InChI
InChI=1S/C10H12BrN5O4/c1-10(11)7(14-15-12)16(9(19)13-8(10)18)6-3-2-5(4-17)20-6/h2-3,5-7,17H,4H2,1H3,(H,13,18,19)/t5-,6+,7-,10+/m0/s1
InChIKey
NILPQIWBCIGEAL-HEZDBXPZSA-N
Compound name
(5R,6R)-6-azido-5-bromo-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.00726 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01454 164.5
[M+Na]+ 367.99648 174.0
[M-H]- 343.99998 171.8
[M+NH4]+ 363.04108 180.0
[M+K]+ 383.97042 158.8
[M+H-H2O]+ 328.00452 166.5
[M+HCOO]- 390.00546 183.9
[M+CH3COO]- 404.02111 202.8
[M+Na-2H]- 365.98193 172.1
[M]+ 345.00671 178.7
[M]- 345.00781 178.7
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.