CID 6483710

1-[(2r,4s,5s)-4-azido-5-[[[hydroxy-(4-methoxyphenyl)methyl]-phenoxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H24N5O8P
SMILES
COC1=CC=C(C=C1)C(O)P(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC(=O)NC3=O)N=[N+]=[N-])OC4=CC=CC=C4
InChI
InChI=1S/C23H24N5O8P/c1-33-16-9-7-15(8-10-16)22(30)37(32,36-17-5-3-2-4-6-17)34-14-19-18(26-27-24)13-21(35-19)28-12-11-20(29)25-23(28)31/h2-12,18-19,21-22,30H,13-14H2,1H3,(H,25,29,31)/t18-,19+,21+,22?,37?/m0/s1
InChIKey
SFHMFQBOCNKXPH-ZKYKXKRFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy-(4-methoxyphenyl)methyl]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

529.1362 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.14348 214.1
[M+Na]+ 552.12542 214.9
[M-H]- 528.12892 223.9
[M+NH4]+ 547.17002 214.5
[M+K]+ 568.09936 209.2
[M+H-H2O]+ 512.13346 203.7
[M+HCOO]- 574.13440 239.2
[M+CH3COO]- 588.15005 241.1
[M+Na-2H]- 550.11087 218.8
[M]+ 529.13565 213.5
[M]- 529.13675 213.5
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.