CID 472330

2-[(2r,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-phenoxy-phosphinic acid

Structural Information

Molecular Formula
C17H20N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCP(=O)(O)OC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C17H20N5O6P/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/h2-6,10,13-15H,7-9H2,1H3,(H,25,26)(H,19,23,24)/t13-,14+,15+/m0/s1
InChIKey
APYSKYLARBAPNP-RRFJBIMHSA-N
Compound name
2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl-phenoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.1151 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12238 192.2
[M+Na]+ 444.10432 196.6
[M-H]- 420.10782 199.6
[M+NH4]+ 439.14892 198.5
[M+K]+ 460.07826 189.4
[M+H-H2O]+ 404.11236 184.1
[M+HCOO]- 466.11330 219.4
[M+CH3COO]- 480.12895 221.6
[M+Na-2H]- 442.08977 197.6
[M]+ 421.11455 190.9
[M]- 421.11565 190.9
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.