CID 5274146

[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-carbamoyl-phosphinic acid

Structural Information

Molecular Formula
C10H15N4O8P
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(C(=O)N)O)O)O
InChI
InChI=1S/C10H15N4O8P/c11-5-1-2-14(10(18)13-5)8-7(16)6(15)4(22-8)3-21-23(19,20)9(12)17/h1-2,4,6-8,15-16H,3H2,(H2,12,17)(H,19,20)(H2,11,13,18)/t4-,6-,7-,8-/m1/s1
InChIKey
NQCSYJRSYYQXSX-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-carbamoylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.06274 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07002 172.1
[M+Na]+ 373.05196 177.5
[M-H]- 349.05546 171.8
[M+NH4]+ 368.09656 179.7
[M+K]+ 389.02590 177.7
[M+H-H2O]+ 333.06000 162.2
[M+HCOO]- 395.06094 192.3
[M+CH3COO]- 409.07659 209.8
[M+Na-2H]- 371.03741 170.3
[M]+ 350.06219 170.9
[M]- 350.06329 170.9
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.