CID 460260

Ddc-5'-opo2sh2 gly deriv.

Structural Information

Molecular Formula
C15H24N5O7PS
SMILES
CNC(=O)CSP(=O)(NCC(=O)OC)OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C15H24N5O7PS/c1-17-12(21)9-29-28(24,18-7-14(22)25-2)26-8-10-3-4-13(27-10)20-6-5-11(16)19-15(20)23/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,17,21)(H,18,24)(H2,16,19,23)/t10-,13+,28?/m0/s1
InChIKey
WOKKDWFUTYEUAN-XLJLNXOMSA-N
Compound name
methyl 2-[[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(methylamino)-2-oxoethyl]sulfanylphosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1134 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12068 195.7
[M+Na]+ 472.10262 197.7
[M-H]- 448.10612 198.4
[M+NH4]+ 467.14722 201.5
[M+K]+ 488.07656 197.9
[M+H-H2O]+ 432.11066 184.3
[M+HCOO]- 494.11160 215.3
[M+CH3COO]- 508.12725 233.4
[M+Na-2H]- 470.08807 193.8
[M]+ 449.11285 200.1
[M]- 449.11395 200.1
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.