CID 454197

3'-meo2ponh-t

Structural Information

Molecular Formula
C12H20N3O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NP(=O)(OC)OC
InChI
InChI=1S/C12H20N3O7P/c1-7-5-15(12(18)13-11(7)17)10-4-8(9(6-16)22-10)14-23(19,20-2)21-3/h5,8-10,16H,4,6H2,1-3H3,(H,14,19)(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
CMXBNPMREDSWNG-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-(dimethoxyphosphorylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10388 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11116 175.1
[M+Na]+ 372.09310 181.9
[M-H]- 348.09660 176.7
[M+NH4]+ 367.13770 184.8
[M+K]+ 388.06704 181.4
[M+H-H2O]+ 332.10114 165.2
[M+HCOO]- 394.10208 197.4
[M+CH3COO]- 408.11773 209.3
[M+Na-2H]- 370.07855 174.9
[M]+ 349.10333 178.5
[M]- 349.10443 178.5
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.