CID 452264

5'-formamido-azt

Structural Information

Molecular Formula
C11H16N6O4
SMILES
CC1=CN(C(=O)NC1O)[C@H]2C[C@@H]([C@H](O2)CNC=O)N=[N+]=[N-]
InChI
InChI=1S/C11H16N6O4/c1-6-4-17(11(20)14-10(6)19)9-2-7(15-16-12)8(21-9)3-13-5-18/h4-5,7-10,19H,2-3H2,1H3,(H,13,18)(H,14,20)/t7-,8+,9+,10?/m0/s1
InChIKey
AQMXPHUFNOFUPS-UWOKOIHUSA-N
Compound name
N-[[(2R,3S,5R)-3-azido-5-(6-hydroxy-5-methyl-2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1233 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 165.1
[M+Na]+ 319.11252 169.8
[M-H]- 295.11602 169.8
[M+NH4]+ 314.15712 176.4
[M+K]+ 335.08646 162.8
[M+H-H2O]+ 279.12056 160.6
[M+HCOO]- 341.12150 187.6
[M+CH3COO]- 355.13715 202.5
[M+Na-2H]- 317.09797 170.7
[M]+ 296.12275 159.1
[M]- 296.12385 159.1
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.