CID 49767515

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-isopropoxy-phosphoryl]formamide

Structural Information

Molecular Formula
C14H21N6O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(=O)N)OC(C)C)N=[N+]=[N-]
InChI
InChI=1S/C14H21N6O7P/c1-7(2)27-28(24,13(15)22)25-6-10-9(18-19-16)4-11(26-10)20-5-8(3)12(21)17-14(20)23/h5,7,9-11H,4,6H2,1-3H3,(H2,15,22)(H,17,21,23)/t9-,10+,11+,28?/m0/s1
InChIKey
CYUCQKLAKVYAIR-RXMYYKHPSA-N
Compound name
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-propan-2-yloxyphosphoryl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.12094 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12822 187.3
[M+Na]+ 439.11016 191.0
[M-H]- 415.11366 192.6
[M+NH4]+ 434.15476 194.2
[M+K]+ 455.08410 186.7
[M+H-H2O]+ 399.11820 180.5
[M+HCOO]- 461.11914 214.6
[M+CH3COO]- 475.13479 226.4
[M+Na-2H]- 437.09561 191.1
[M]+ 416.12039 187.2
[M]- 416.12149 187.2
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.