CID 6479209

1-[(2r,4s,5r)-4-amino-5-(aminomethyl)tetrahydrofuran-2-yl]-5-[(e)-2-bromovinyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15BrN4O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CN)N
InChI
InChI=1S/C11H15BrN4O3/c12-2-1-6-5-16(11(18)15-10(6)17)9-3-7(14)8(4-13)19-9/h1-2,5,7-9H,3-4,13-14H2,(H,15,17,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKey
PIQZKKPSMOEGSJ-PIXDULNESA-N
Compound name
1-[(2R,4S,5R)-4-amino-5-(aminomethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.03275 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04003 166.1
[M+Na]+ 353.02197 177.2
[M-H]- 329.02547 171.6
[M+NH4]+ 348.06657 180.2
[M+K]+ 368.99591 164.4
[M+H-H2O]+ 313.03001 163.3
[M+HCOO]- 375.03095 183.6
[M+CH3COO]- 389.04660 204.3
[M+Na-2H]- 351.00742 167.6
[M]+ 330.03220 181.0
[M]- 330.03330 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.