CID 6483653

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

Structural Information

Molecular Formula
C23H23ClN5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(C3=CC=C(C=C3)Cl)O)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C23H23ClN5O7P/c1-14-12-29(23(32)26-21(14)30)20-11-18(27-28-25)19(35-20)13-34-37(33,36-17-5-3-2-4-6-17)22(31)15-7-9-16(24)10-8-15/h2-10,12,18-20,22,31H,11,13H2,1H3,(H,26,30,32)/t18-,19+,20+,22?,37?/m0/s1
InChIKey
JMRWBBZRFPKNPM-SEGJNWIWSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[(4-chlorophenyl)-hydroxymethyl]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

547.10236 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.10964 222.2
[M+Na]+ 570.09158 224.8
[M-H]- 546.09508 232.1
[M+NH4]+ 565.13618 223.2
[M+K]+ 586.06552 217.2
[M+H-H2O]+ 530.09962 212.6
[M+HCOO]- 592.10056 242.5
[M+CH3COO]- 606.11621 243.4
[M+Na-2H]- 568.07703 224.9
[M]+ 547.10181 223.3
[M]- 547.10291 223.3
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.