CID 496316

Nsc685578

Structural Information

Molecular Formula
C22H35N2O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](O2)COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C22H35N2O11P/c1-14-10-24(20(28)23-17(14)25)16-9-8-15(35-16)11-32-36(29,33-12-30-18(26)21(2,3)4)34-13-31-19(27)22(5,6)7/h10,15-16H,8-9,11-13H2,1-7H3,(H,23,25,28)/t15-,16+/m1/s1
InChIKey
HJBMNDALTQYIGG-CVEARBPZSA-N
Compound name
[2,2-dimethylpropanoyloxymethoxy-[[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1979 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.20518 215.7
[M+Na]+ 557.18712 218.1
[M-H]- 533.19062 217.9
[M+NH4]+ 552.23172 216.0
[M+K]+ 573.16106 221.5
[M+H-H2O]+ 517.19516 206.4
[M+HCOO]- 579.19610 230.9
[M+CH3COO]- 593.21175 241.6
[M+Na-2H]- 555.17257 216.0
[M]+ 534.19735 226.4
[M]- 534.19845 226.4
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.