CID 465608

3-(bret)azt

Structural Information

Molecular Formula
C12H16BrN5O4
SMILES
CC1=CN(C(=O)N(C1=O)CCBr)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H16BrN5O4/c1-7-5-18(12(21)17(3-2-13)11(7)20)10-4-8(15-16-14)9(6-19)22-10/h5,8-10,19H,2-4,6H2,1H3/t8-,9+,10+/m0/s1
InChIKey
BJEOIIUTPSGXLO-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(2-bromoethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.03857 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04585 175.5
[M+Na]+ 396.02779 186.4
[M-H]- 372.03129 184.5
[M+NH4]+ 391.07239 189.2
[M+K]+ 412.00173 170.8
[M+H-H2O]+ 356.03583 175.9
[M+HCOO]- 418.03677 198.2
[M+CH3COO]- 432.05242 211.8
[M+Na-2H]- 394.01324 181.9
[M]+ 373.03802 194.4
[M]- 373.03912 194.4
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.