CID 511279

[[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxycarbonylamino]methylphosphonic acid

Structural Information

Molecular Formula
C10H15N4O7PS
SMILES
C1[C@H](O[C@H](S1)COC(=O)NCP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N4O7PS/c11-6-1-2-14(9(15)13-6)7-4-23-8(21-7)3-20-10(16)12-5-22(17,18)19/h1-2,7-8H,3-5H2,(H,12,16)(H2,11,13,15)(H2,17,18,19)/t7-,8+/m0/s1
InChIKey
XVXWAODOCNVXHI-JGVFFNPUSA-N
Compound name
[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxycarbonylamino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.03992 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04720 173.1
[M+Na]+ 389.02914 177.6
[M-H]- 365.03264 173.9
[M+NH4]+ 384.07374 181.5
[M+K]+ 405.00308 176.9
[M+H-H2O]+ 349.03718 163.1
[M+HCOO]- 411.03812 191.2
[M+CH3COO]- 425.05377 208.8
[M+Na-2H]- 387.01459 172.4
[M]+ 366.03937 174.3
[M]- 366.04047 174.3
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.