CID 6483656

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

Structural Information

Molecular Formula
C23H25N6O8P
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=C(C=C4)OC)N=[N+]=[N-]
InChI
InChI=1S/C23H25N6O8P/c1-14-12-29(23(32)26-21(14)30)20-10-18(27-28-24)19(36-20)13-35-38(33,22(31)15-4-3-9-25-11-15)37-17-7-5-16(34-2)6-8-17/h3-9,11-12,18-20,22,31H,10,13H2,1-2H3,(H,26,30,32)/t18-,19+,20+,22?,38?/m0/s1
InChIKey
RARBEAXNPHLCPU-KTPBEUHUSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[[[hydroxy(pyridin-3-yl)methyl]-(4-methoxyphenoxy)phosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.14716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.15444 218.6
[M+Na]+ 567.13638 220.0
[M-H]- 543.13988 227.7
[M+NH4]+ 562.18098 217.3
[M+K]+ 583.11032 214.1
[M+H-H2O]+ 527.14442 207.7
[M+HCOO]- 589.14536 242.1
[M+CH3COO]- 603.16101 245.1
[M+Na-2H]- 565.12183 222.9
[M]+ 544.14661 218.6
[M]- 544.14771 218.6
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.