CID 451440

Azt-p-azt

Structural Information

Molecular Formula
C20H25N10O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C20H25N10O10P/c1-9-5-29(19(33)23-17(9)31)15-3-11(25-27-21)13(39-15)7-37-41(35,36)38-8-14-12(26-28-22)4-16(40-14)30-6-10(2)18(32)24-20(30)34/h5-6,11-16H,3-4,7-8H2,1-2H3,(H,35,36)(H,23,31,33)(H,24,32,34)/t11-,12+,13+,14-,15+,16-
InChIKey
QNODVFYIEJIAOJ-ZMLDCZPUSA-N
Compound name
[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

596.1493 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.15658 227.1
[M+Na]+ 619.13852 230.6
[M-H]- 595.14202 224.8
[M+NH4]+ 614.18312 230.4
[M+K]+ 635.11246 231.7
[M+H-H2O]+ 579.14656 217.0
[M+HCOO]- 641.14750 232.1
[M+CH3COO]- 655.16315 253.6
[M+Na-2H]- 617.12397 253.0
[M]+ 596.14875 260.6
[M]- 596.14985 260.6
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.