CID 460256

Act-5'-opo3h2 gly deriv.

Structural Information

Molecular Formula
C18H27N4O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCC(=O)OC)NCC(=O)OC)OC(=O)C
InChI
InChI=1S/C18H27N4O11P/c1-10-8-22(18(27)21-17(10)26)14-5-12(32-11(2)23)13(33-14)9-31-34(28,19-6-15(24)29-3)20-7-16(25)30-4/h8,12-14H,5-7,9H2,1-4H3,(H2,19,20,28)(H,21,26,27)/t12-,13+,14+/m0/s1
InChIKey
WIBGKQDEJMFWQN-BFHYXJOUSA-N
Compound name
methyl 2-[[[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1414 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.14868 204.0
[M+Na]+ 529.13062 206.1
[M-H]- 505.13412 206.5
[M+NH4]+ 524.17522 206.8
[M+K]+ 545.10456 209.2
[M+H-H2O]+ 489.13866 193.0
[M+HCOO]- 551.13960 225.2
[M+CH3COO]- 565.15525 243.0
[M+Na-2H]- 527.11607 201.7
[M]+ 506.14085 211.9
[M]- 506.14195 211.9
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.