CID 6483657

1-[(2r,4s,5s)-4-azido-5-[[(2,6-dimethylphenoxy)-[hydroxy(3-pyridyl)methyl]phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H27N6O7P
SMILES
CC1=C(C(=CC=C1)C)OP(=O)(C(C2=CN=CC=C2)O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI
InChI=1S/C24H27N6O7P/c1-14-6-4-7-15(2)21(14)37-38(34,23(32)17-8-5-9-26-11-17)35-13-19-18(28-29-25)10-20(36-19)30-12-16(3)22(31)27-24(30)33/h4-9,11-12,18-20,23,32H,10,13H2,1-3H3,(H,27,31,33)/t18-,19+,20+,23?,38?/m0/s1
InChIKey
LRTYGGOWJQLVLF-RNMLQAPJSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[(2,6-dimethylphenoxy)-[hydroxy(pyridin-3-yl)methyl]phosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

542.1679 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.17518 223.4
[M+Na]+ 565.15712 225.6
[M-H]- 541.16062 232.6
[M+NH4]+ 560.20172 222.6
[M+K]+ 581.13106 218.7
[M+H-H2O]+ 525.16516 212.7
[M+HCOO]- 587.16610 246.4
[M+CH3COO]- 601.18175 247.0
[M+Na-2H]- 563.14257 225.9
[M]+ 542.16735 222.9
[M]- 542.16845 222.9
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.