CID 6476296

Chembl2112416

Structural Information

Molecular Formula
C15H19N5O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC/C=C/CO)N=[N+]=[N-]
InChI
InChI=1S/C15H19N5O7/c1-9-7-20(14(23)17-13(9)22)12-6-10(18-19-16)11(27-12)8-26-15(24)25-5-3-2-4-21/h2-3,7,10-12,21H,4-6,8H2,1H3,(H,17,22,23)/b3-2+/t10-,11+,12+/m0/s1
InChIKey
HOZQLNWATRZWAQ-FBUKTIRESA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(E)-4-hydroxybut-2-enyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.12845 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13573 184.9
[M+Na]+ 404.11767 190.2
[M-H]- 380.12117 190.0
[M+NH4]+ 399.16227 192.9
[M+K]+ 420.09161 183.2
[M+H-H2O]+ 364.12571 179.8
[M+HCOO]- 426.12665 207.7
[M+CH3COO]- 440.14230 212.7
[M+Na-2H]- 402.10312 189.4
[M]+ 381.12790 185.4
[M]- 381.12900 185.4
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.