CID 6483650

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

Structural Information

Molecular Formula
C23H24N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(C3=CC=CC=C3)O)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C23H24N5O7P/c1-15-13-28(23(31)25-21(15)29)20-12-18(26-27-24)19(34-20)14-33-36(32,35-17-10-6-3-7-11-17)22(30)16-8-4-2-5-9-16/h2-11,13,18-20,22,30H,12,14H2,1H3,(H,25,29,31)/t18-,19+,20+,22?,36?/m0/s1
InChIKey
PAIPEMKLFZVQMQ-FYPBMMHLSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy(phenyl)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

513.14136 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.14864 213.0
[M+Na]+ 536.13058 214.3
[M-H]- 512.13408 222.8
[M+NH4]+ 531.17518 214.2
[M+K]+ 552.10452 207.6
[M+H-H2O]+ 496.13862 202.7
[M+HCOO]- 558.13956 237.9
[M+CH3COO]- 572.15521 238.7
[M+Na-2H]- 534.11603 217.0
[M]+ 513.14081 211.2
[M]- 513.14191 211.2
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.