CID 470963

3'-azido-3'-deoxy-5'-o-isonicotinoylthymidine

Structural Information

Molecular Formula
C16H16N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=NC=C3)N=[N+]=[N-]
InChI
InChI=1S/C16H16N6O5/c1-9-7-22(16(25)19-14(9)23)13-6-11(20-21-17)12(27-13)8-26-15(24)10-2-4-18-5-3-10/h2-5,7,11-13H,6,8H2,1H3,(H,19,23,25)/t11-,12+,13+/m0/s1
InChIKey
OYFFXILVYKNQTK-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

372.11823 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12551 184.3
[M+Na]+ 395.10745 190.6
[M-H]- 371.11095 192.9
[M+NH4]+ 390.15205 191.5
[M+K]+ 411.08139 182.8
[M+H-H2O]+ 355.11549 177.3
[M+HCOO]- 417.11643 207.6
[M+CH3COO]- 431.13208 214.6
[M+Na-2H]- 393.09290 190.2
[M]+ 372.11768 183.0
[M]- 372.11878 183.0
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.