CID 452709

Meocoprnhpo3(et)azt

Structural Information

Molecular Formula
C17H27N6O8P
SMILES
CCOP(=O)(NCCCC(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C17H27N6O8P/c1-4-29-32(27,19-7-5-6-15(24)28-3)30-10-13-12(21-22-18)8-14(31-13)23-9-11(2)16(25)20-17(23)26/h9,12-14H,4-8,10H2,1-3H3,(H,19,27)(H,20,25,26)/t12-,13+,14+,32?/m0/s1
InChIKey
WJZMAVPYIKSQFR-CONJGFJISA-N
Compound name
methyl 4-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

474.1628 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17008 202.4
[M+Na]+ 497.15202 204.7
[M-H]- 473.15552 207.5
[M+NH4]+ 492.19662 229.8
[M+K]+ 513.12596 200.3
[M+H-H2O]+ 457.16006 194.6
[M+HCOO]- 519.16100 249.9
[M+CH3COO]- 533.17665 236.7
[M+Na-2H]- 495.13747 207.5
[M]+ 474.16225 206.0
[M]- 474.16335 206.0
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.