CID 483699

4-amino-1-(3'-azido-3'-deoxythymidin-5'-yl) butanoate

Structural Information

Molecular Formula
C14H20N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCN)N=[N+]=[N-]
InChI
InChI=1S/C14H20N6O5/c1-8-6-20(14(23)17-13(8)22)11-5-9(18-19-16)10(25-11)7-24-12(21)3-2-4-15/h6,9-11H,2-5,7,15H2,1H3,(H,17,22,23)/t9-,10+,11+/m0/s1
InChIKey
FBUSKWMVPVJSAZ-HBNTYKKESA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1495 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15678 179.7
[M+Na]+ 375.13872 185.1
[M-H]- 351.14222 185.7
[M+NH4]+ 370.18332 189.2
[M+K]+ 391.11266 178.2
[M+H-H2O]+ 335.14676 174.3
[M+HCOO]- 397.14770 204.2
[M+CH3COO]- 411.16335 214.3
[M+Na-2H]- 373.12417 184.1
[M]+ 352.14895 178.2
[M]- 352.15005 178.2
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.