CID 6335152

1-[(2r,4s,5s)-5-(1-adamantyloxyphosphonoyloxymethyl)-4-azido-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H27N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)OC34CC5CC(C3)CC(C5)C4)N=[N+]=[N-]
InChI
InChI=1S/C20H26N5O6P/c1-11-9-25(19(27)22-18(11)26)17-5-15(23-24-21)16(30-17)10-29-32(28)31-20-6-12-2-13(7-20)4-14(3-12)8-20/h9,12-17H,2-8,10H2,1H3/p+1/t12?,13?,14?,15-,16+,17+,20?/m0/s1
InChIKey
XWQQHBMFMFSABZ-OAHXQMRHSA-O
Compound name
1-adamantyloxy-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.1699 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17718 184.0
[M+Na]+ 487.15912 181.4
[M-H]- 463.16262 182.9
[M+NH4]+ 482.20372 195.0
[M+K]+ 503.13306 171.4
[M+H-H2O]+ 447.16716 178.2
[M+HCOO]- 509.16810 194.8
[M+CH3COO]- 523.18375 232.6
[M+Na-2H]- 485.14457 195.1
[M]+ 464.16935 182.9
[M]- 464.17045 182.9
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.