CID 6475208

(e, 2r, 4s, 5r)-1-[4-azidotetrahydro-5-[2-(o-phenylphosphono)vinyl]-2-furyl]thymine

Structural Information

Molecular Formula
C17H18N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)/C=C/P(=O)(O)OC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C17H18N5O6P/c1-11-10-22(17(24)19-16(11)23)15-9-13(20-21-18)14(27-15)7-8-29(25,26)28-12-5-3-2-4-6-12/h2-8,10,13-15H,9H2,1H3,(H,25,26)(H,19,23,24)/b8-7+/t13-,14+,15+/m0/s1
InChIKey
UKEWTKWMSKHTON-HKJFTIBCSA-N
Compound name
[(E)-2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-phenoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.09946 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10674 191.8
[M+Na]+ 442.08868 196.5
[M-H]- 418.09218 199.2
[M+NH4]+ 437.13328 198.1
[M+K]+ 458.06262 188.7
[M+H-H2O]+ 402.09672 183.7
[M+HCOO]- 464.09766 219.1
[M+CH3COO]- 478.11331 220.1
[M+Na-2H]- 440.07413 197.1
[M]+ 419.09891 189.7
[M]- 419.10001 189.7
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.