CID 473819

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzyl hydrogen phosphate

Structural Information

Molecular Formula
C17H20N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C17H20N5O7P/c1-11-8-22(17(24)19-16(11)23)15-7-13(20-21-18)14(29-15)10-28-30(25,26)27-9-12-5-3-2-4-6-12/h2-6,8,13-15H,7,9-10H2,1H3,(H,25,26)(H,19,23,24)/t13-,14+,15+/m0/s1
InChIKey
LTIYMHVQFMKCEE-RRFJBIMHSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.11005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11733 193.7
[M+Na]+ 460.09927 197.6
[M-H]- 436.10277 201.0
[M+NH4]+ 455.14387 199.2
[M+K]+ 476.07321 191.3
[M+H-H2O]+ 420.10731 185.4
[M+HCOO]- 482.10825 221.0
[M+CH3COO]- 496.12390 224.0
[M+Na-2H]- 458.08472 199.7
[M]+ 437.10950 193.6
[M]- 437.11060 193.6
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.