CID 162501

Amt-mp

Structural Information

Molecular Formula
C10H16N3O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N
InChI
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
BQZMHQZNZNBJNF-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

321.0726 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07988 167.8
[M+Na]+ 344.06182 175.0
[M-H]- 320.06532 167.9
[M+NH4]+ 339.10642 177.7
[M+K]+ 360.03576 173.8
[M+H-H2O]+ 304.06986 158.5
[M+HCOO]- 366.07080 188.6
[M+CH3COO]- 380.08645 200.8
[M+Na-2H]- 342.04727 167.0
[M]+ 321.07205 167.7
[M]- 321.07315 167.7
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

patents stripe