CID 6478372

2-amino-bvdu

Structural Information

Molecular Formula
C11H14BrN3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N=C2N)/C=C/Br)CO)O
InChI
InChI=1S/C11H14BrN3O4/c12-2-1-6-4-15(11(13)14-10(6)18)9-3-7(17)8(5-16)19-9/h1-2,4,7-9,16-17H,3,5H2,(H2,13,14,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKey
JEFDWQFERQWSEV-PIXDULNESA-N
Compound name
2-amino-5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01678 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02406 165.6
[M+Na]+ 354.00600 176.8
[M-H]- 330.00950 170.4
[M+NH4]+ 349.05060 179.7
[M+K]+ 369.97994 164.9
[M+H-H2O]+ 314.01404 163.6
[M+HCOO]- 376.01498 181.4
[M+CH3COO]- 390.03063 200.4
[M+Na-2H]- 351.99145 167.4
[M]+ 331.01623 182.4
[M]- 331.01733 182.4
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.