CID 6335151

3'-azido-3'-deoxy-thymidine, 5'-isopropyl phosphonate

Structural Information

Molecular Formula
C13H19N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC(C)C)N=[N+]=[N-]
InChI
InChI=1S/C13H18N5O6P/c1-7(2)24-25(21)22-6-10-9(16-17-14)4-11(23-10)18-5-8(3)12(19)15-13(18)20/h5,7,9-11H,4,6H2,1-3H3/p+1/t9-,10+,11+/m0/s1
InChIKey
MQLPJMTYYWDJQN-HBNTYKKESA-O
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1073 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11458 179.7
[M+Na]+ 395.09652 184.4
[M-H]- 371.10002 185.4
[M+NH4]+ 390.14112 188.7
[M+K]+ 411.07046 174.0
[M+H-H2O]+ 355.10456 175.4
[M+HCOO]- 417.10550 207.5
[M+CH3COO]- 431.12115 209.4
[M+Na-2H]- 393.08197 184.8
[M]+ 372.10675 179.4
[M]- 372.10785 179.4
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.