CID 11341955

Nsc701200

Structural Information

Molecular Formula
C26H43N2O9P
SMILES
CCCCCCC(=O)COP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC(=O)CCCCCC
InChI
InChI=1S/C26H43N2O9P/c1-4-6-8-10-12-21(29)17-34-38(33,35-18-22(30)13-11-9-7-5-2)36-19-23-14-15-24(37-23)28-16-20(3)25(31)27-26(28)32/h16,23-24H,4-15,17-19H2,1-3H3,(H,27,31,32)/t23-,24+/m0/s1
InChIKey
SPLDVPHOKMMRDU-BJKOFHAPSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(2-oxooctyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.27788 232.5
[M+Na]+ 581.25982 232.9
[M-H]- 557.26332 232.9
[M+NH4]+ 576.30442 225.4
[M+K]+ 597.23376 232.1
[M+H-H2O]+ 541.26786 220.5
[M+HCOO]- 603.26880 241.5
[M+CH3COO]- 617.28445 250.1
[M+Na-2H]- 579.24527 225.2
[M]+ 558.27005 243.1
[M]- 558.27115 243.1
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.