CID 6483655

1-[(2r,4s,5s)-4-azido-5-[[[hydroxy(3-pyridyl)methyl]-phenoxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H23N6O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(C3=CN=CC=C3)O)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C22H23N6O7P/c1-14-12-28(22(31)25-20(14)29)19-10-17(26-27-23)18(34-19)13-33-36(32,35-16-7-3-2-4-8-16)21(30)15-6-5-9-24-11-15/h2-9,11-12,17-19,21,30H,10,13H2,1H3,(H,25,29,31)/t17-,18+,19+,21?,36?/m0/s1
InChIKey
IKXFRULWTMGHQQ-QLFAELECSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy(pyridin-3-yl)methyl]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

514.1366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.14388 211.6
[M+Na]+ 537.12582 213.1
[M-H]- 513.12932 220.5
[M+NH4]+ 532.17042 211.4
[M+K]+ 553.09976 206.4
[M+H-H2O]+ 497.13386 200.8
[M+HCOO]- 559.13480 235.5
[M+CH3COO]- 573.15045 238.6
[M+Na-2H]- 535.11127 216.5
[M]+ 514.13605 209.7
[M]- 514.13715 209.7
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.